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PUBCHEM-ZINC06037750

 MMsINC code: MMs03507822
Type: Neutral
Formula: C10H18S
SMILES:   S1C2CC(CCC2C)C1(C)C
InChI:   InChI=1/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=78.8582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.32 g/mol  logS: -2.6197  SlogP: 3.3166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241133  Sterimol/B1: 3.10575  Sterimol/B2: 3.7764  Sterimol/B3: 3.81176
  Sterimol/B4: 4.16174  Sterimol/L: 10.0806 
 
 Surface and Volume Properties
  Accessible surface: 346.966  Positive charged surface: 239.531  Negative charged surface: 107.435  Volume: 181.875
  Hydrophobic surface: 263.618  Hydrophilic surface: 83.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.