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ACROSORGANICS-ZINC00157459

 MMsINC code: MMs00005667
Type: Neutral
Formula: C7H7ClO
SMILES:   Clc1ccccc1CO
InChI:   InChI=1/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.7545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.585 g/mol  logS: -1.89019  SlogP: 2.0987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0243551  Sterimol/B1: 2.3738  Sterimol/B2: 2.37629  Sterimol/B3: 2.48476
  Sterimol/B4: 6.21248  Sterimol/L: 9.71542 
 
 Surface and Volume Properties
  Accessible surface: 311.279  Positive charged surface: 158.032  Negative charged surface: 153.246  Volume: 131.75
  Hydrophobic surface: 255.663  Hydrophilic surface: 55.616
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.