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APOLLO-ZINC01606265

 MMsINC code: MMs00049596
Type: Neutral
Formula: C8H9ClO
SMILES:   Clc1cc(OC)c(cc1)C
InChI:   InChI=1/C8H9ClO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.6508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.612 g/mol  logS: -2.33002  SlogP: 2.65702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436479  Sterimol/B1: 1.969  Sterimol/B2: 2.38127  Sterimol/B3: 2.51213
  Sterimol/B4: 8.03486  Sterimol/L: 9.51895 
 
 Surface and Volume Properties
  Accessible surface: 340.986  Positive charged surface: 195.907  Negative charged surface: 145.079  Volume: 150.125
  Hydrophobic surface: 337.405  Hydrophilic surface: 3.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.