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ACROSORGANICS-ZINC01688763

 MMsINC code: MMs00011000
Type: Neutral
Formula: C7H8S
SMILES:   S(C)c1ccccc1
InChI:   InChI=1/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.2928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.207 g/mol  logS: -2.40628  SlogP: 2.4085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0202548  Sterimol/B1: 2.37431  Sterimol/B2: 2.37608  Sterimol/B3: 3.89701
  Sterimol/B4: 3.99742  Sterimol/L: 10.1504 
 
 Surface and Volume Properties
  Accessible surface: 301.735  Positive charged surface: 151.109  Negative charged surface: 150.626  Volume: 132.375
  Hydrophobic surface: 259.132  Hydrophilic surface: 42.603
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.