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PUBCHEM-ZINC00712271

 MMsINC code: MMs02732234
Type: Neutral
Formula: C10H7ClOS
SMILES:   Clc1scc(c1)-c1ccc(O)cc1
InChI:   InChI=1/C10H7ClOS/c11-10-5-8(6-13-10)7-1-3-9(12)4-2-7/h1-6,12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.4141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.684 g/mol  logS: -4.14861  SlogP: 3.7741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00450775  Sterimol/B1: 2.1616  Sterimol/B2: 2.3182  Sterimol/B3: 2.70152
  Sterimol/B4: 5.03302  Sterimol/L: 12.8944 
 
 Surface and Volume Properties
  Accessible surface: 383.855  Positive charged surface: 136.83  Negative charged surface: 247.025  Volume: 181.875
  Hydrophobic surface: 332.135  Hydrophilic surface: 51.72
 
 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.