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PUBCHEM-ZINC02166320

 MMsINC code: MMs02878965
Type: Neutral
Formula: C10H10S
SMILES:   S(C(C=C)=C)c1ccccc1
InChI:   InChI=1/C10H10S/c1-3-9(2)11-10-7-5-4-6-8-10/h3-8H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.4153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.256 g/mol  logS: -3.46429  SlogP: 3.4784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116837  Sterimol/B1: 2.61987  Sterimol/B2: 3.31125  Sterimol/B3: 3.85859
  Sterimol/B4: 4.22018  Sterimol/L: 12.4401 
 
 Surface and Volume Properties
  Accessible surface: 369.601  Positive charged surface: 181.417  Negative charged surface: 188.184  Volume: 171.625
  Hydrophobic surface: 275.181  Hydrophilic surface: 94.42
 
 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.