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APOLLO-ZINC00404129

 MMsINC code: MMs00048827
Type: Neutral
Formula: C7H8OS
SMILES:   S(C)c1ccc(O)cc1
InChI:   InChI=1/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.3793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.206 g/mol  logS: -2.04433  SlogP: 2.1141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229379  Sterimol/B1: 2.34555  Sterimol/B2: 2.40216  Sterimol/B3: 3.62626
  Sterimol/B4: 4.22729  Sterimol/L: 10.8089 
 
 Surface and Volume Properties
  Accessible surface: 316.236  Positive charged surface: 166.225  Negative charged surface: 150.011  Volume: 137
  Hydrophobic surface: 221.728  Hydrophilic surface: 94.508
 
 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.