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PUBCHEM-ZINC00406243

 MMsINC code: MMs02677159
Type: Neutral
Formula: C8H15NOS
SMILES:   S(C(=O)NC1CCCCC1)C
InChI:   InChI=1/C8H15NOS/c1-11-8(10)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=-9.02917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.28 g/mol  logS: -2.28209  SlogP: 2.3917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804546  Sterimol/B1: 2.94938  Sterimol/B2: 3.26418  Sterimol/B3: 3.71121
  Sterimol/B4: 3.95346  Sterimol/L: 12.8759 
 
 Surface and Volume Properties
  Accessible surface: 386.621  Positive charged surface: 261.772  Negative charged surface: 124.849  Volume: 175.625
  Hydrophobic surface: 297.398  Hydrophilic surface: 89.223
 
 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.