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ENAMINE-ZINC03190843

 MMsINC code: MMs01301085
Type: Neutral
Formula: C10H9ClN2O
SMILES:   Clc1ccccc1-n1nc(cc1O)C
InChI:   InChI=1/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-5-3-2-4-8(9)11/h2-6,14H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.2203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.648 g/mol  logS: -2.53578  SlogP: 2.53972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0705003  Sterimol/B1: 2.5127  Sterimol/B2: 3.5281  Sterimol/B3: 3.70071
  Sterimol/B4: 5.11732  Sterimol/L: 12.3963 
 
 Surface and Volume Properties
  Accessible surface: 398.467  Positive charged surface: 197.668  Negative charged surface: 200.799  Volume: 189.625
  Hydrophobic surface: 345.795  Hydrophilic surface: 52.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.