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NCID-ZINC01691335

 MMsINC code: MMs02323443
Type: Neutral
Formula: C8H15NOS
SMILES:   S(CC)C(=O)N1CCCCC1
InChI:   InChI=1/C8H15NOS/c1-2-11-8(10)9-6-4-3-5-7-9/h2-7H2,1H3

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Potential Energy
Epot(MMFF94)=-0.522313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.28 g/mol  logS: -1.78632  SlogP: 2.3454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0700634  Sterimol/B1: 2.88024  Sterimol/B2: 3.32725  Sterimol/B3: 3.48439
  Sterimol/B4: 4.25805  Sterimol/L: 12.5255 
 
 Surface and Volume Properties
  Accessible surface: 385.696  Positive charged surface: 290.45  Negative charged surface: 95.2455  Volume: 175
  Hydrophobic surface: 303.78  Hydrophilic surface: 81.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.