MCULE-1124801360-0
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- InChI:
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1
MCULE-1559805498-0
- Component type: Unknown
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1
MCULE-4509510508-0
- Component type: Unknown
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1
MCULE-3509711512-0
- Component type: Unknown
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1
MCULE-1650198230-0
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-1124801360-0.sdf |
SMILES | MCULE-1124801360-0.smiles |
Standard InChI | MCULE-1124801360-0.inchi |
InChIKey | MCULE-1124801360-0.txt |
Property | Value |
---|---|
Components | 4 |
Mass | 1887.446 |
logP | 7.0046 |
H-bond acceptors | 46 |
H-bond donors | 29 |
Rotatable bonds | 19 |
PSA | 874.45 |
RO5 violations | 4 |
RO3 violations | 6 |
Refractivity | 457.7818 |
Atoms | 199 |
Rings | 15 |
Heavy atoms | 137 |
Hydrogen atoms | 62 |
Heteroatoms | 46 |
N/O atoms | 46 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |