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NCID-ZINC01673209

 MMsINC code: MMs02309167
Type: Neutral
Formula: C7H7ClO
SMILES:   Clc1cccc(O)c1C
InChI:   InChI=1/C7H7ClO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.2572 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: 0.0410515  Sterimol/B1: 2.24577  Sterimol/B2: 2.51435  Sterimol/B3: 4.28476
  Sterimol/B4: 4.60277  Sterimol/L: 8.7873 
 
 Surface and Volume Properties
  Accessible surface: 304.488  Positive charged surface: 147.265  Negative charged surface: 157.223  Volume: 131.125
  Hydrophobic surface: 260.974  Hydrophilic surface: 43.514
 
 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.