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PUBCHEM-ZINC00480734

 MMsINC code: MMs02689743
Type: Neutral
Formula: C10H7ClOS
SMILES:   Clc1sc(cc1)-c1ccc(O)cc1
InChI:   InChI=1/C10H7ClOS/c11-10-6-5-9(13-10)7-1-3-8(12)4-2-7/h1-6,12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.5524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.684 g/mol  logS: -4.11741  SlogP: 3.7741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00387707  Sterimol/B1: 2.14719  Sterimol/B2: 2.27363  Sterimol/B3: 2.53478
  Sterimol/B4: 4.90144  Sterimol/L: 13.4749 
 
 Surface and Volume Properties
  Accessible surface: 386.252  Positive charged surface: 148.186  Negative charged surface: 238.066  Volume: 181.25
  Hydrophobic surface: 334.497  Hydrophilic surface: 51.755
 
 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.