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APOLLO-ZINC00407449

 MMsINC code: MMs00048844
Type: Neutral
Formula: C7H7ClO
SMILES:   Clc1cc(O)ccc1C
InChI:   InChI=1/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.8566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.585 g/mol  logS: -1.91769  SlogP: 2.35402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0321577  Sterimol/B1: 2.02407  Sterimol/B2: 2.49316  Sterimol/B3: 3.56066
  Sterimol/B4: 4.78864  Sterimol/L: 9.37174 
 
 Surface and Volume Properties
  Accessible surface: 309.616  Positive charged surface: 150.774  Negative charged surface: 158.842  Volume: 131.125
  Hydrophobic surface: 258.346  Hydrophilic surface: 51.27
 
 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.