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PUBCHEM-ZINC06361303

 MMsINC code: MMs03686845
Type: Neutral
Formula: C10H16O2S
SMILES:   S(O)(=O)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C10H16O2S/c11-13(12)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2,(H,11,12)/t7-,8+,9-,10-

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Potential Energy
Epot(MMFF94)=37.3676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.302 g/mol  logS: -2.58705  SlogP: 1.6112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.468982  Sterimol/B1: 2.56145  Sterimol/B2: 3.56551  Sterimol/B3: 4.00878
  Sterimol/B4: 5.30017  Sterimol/L: 9.97339 
 
 Surface and Volume Properties
  Accessible surface: 355.18  Positive charged surface: 271.509  Negative charged surface: 83.6711  Volume: 181.625
  Hydrophobic surface: 260.347  Hydrophilic surface: 94.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs03686846
PUBCHEM-ZINC06361303