MCULE-4094049864-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-4111007767-0
- Component type: Counter Ion
-
MCULE-9825148885-0
- Component type: Counter Ion
-
MCULE-4229477691-0
- Component type: Counter Ion
-
MCULE-8077156314-0
- Component type: Counter Ion
-
MCULE-4192505146-0
- Component type: Counter Ion
-
MCULE-9801635537-0
- Component type: Counter Ion
-
MCULE-8516731453-0
- Component type: Counter Ion
-
MCULE-9272936237-0
- Component type: Counter Ion
-
MCULE-7760773742-0
- Component type: Counter Ion
-
MCULE-7138493501-0
- Component type: Counter Ion
-
MCULE-6694948638-0
- Component type: Counter Ion
-
MCULE-3801501251-0
- Component type: Counter Ion
-
MCULE-6238331066-0
- Component type: Counter Ion
-
MCULE-2016937797-0
- Component type: Counter Ion
-
MCULE-6238331066-1
- Component type: Counter Ion
-
MCULE-7138493501-1
- Component type: Counter Ion
-
MCULE-2290735913-0
- Component type: Counter Ion
-
MCULE-4468932632-0
- Component type: Counter Ion
-
MCULE-3801501251-1
- Component type: Counter Ion
-
MCULE-7824235342-0
- Component type: Counter Ion
-
MCULE-6694948638-1
- Component type: Counter Ion
-
MCULE-6582622554-0
- Component type: Counter Ion
-
MCULE-3980002629-0
- Component type: Counter Ion
-
MCULE-8784519092-0
- Component type: Counter Ion
-
MCULE-8365057452-0
- Component type: Counter Ion
-
MCULE-2450301796-0
- Component type: Counter Ion
-
MCULE-9934988680-0
- Component type: Counter Ion
-
MCULE-8631713091-0
- Component type: Counter Ion
-
MCULE-8197438075-0
- Component type: Counter Ion
-
MCULE-8116067094-0
- Component type: Counter Ion
-
MCULE-7406032514-0
- Component type: Counter Ion
-
MCULE-4972579623-0
- Component type: Counter Ion
-
MCULE-3275526506-1
- Component type: Counter Ion
-
MCULE-1279175842-0
- Component type: Counter Ion
-
MCULE-3908316488-0
- Component type: Counter Ion
-
MCULE-2456075025-0
- Component type: Counter Ion
-
MCULE-6070312298-0
- Component type: Counter Ion
-
MCULE-1499731770-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-4094049864-0.sdf |
SMILES | MCULE-4094049864-0.smiles |
Standard InChI | MCULE-4094049864-0.inchi |
InChIKey | MCULE-4094049864-0.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 86.156 |
logP | 1.3029 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 16.61 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 31.7144 |
Atoms | 18 |
Rings | 1 |
Heavy atoms | 6 |
Hydrogen atoms | 12 |
Heteroatoms | 1 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |