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NCID-ZINC05639559

 MMsINC code: MMs02481360
Type: Neutral
Formula: C10H19NO2S
SMILES:   S(=O)(\C=C/C(=O)NCCC)CCCC
InChI:   InChI=1/C10H19NO2S/c1-3-5-8-14(13)9-6-10(12)11-7-4-2/h6,9H,3-5,7-8H2,1-2H3,(H,11,12)/b9-6-/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=26.4884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.333 g/mol  logS: -1.86951  SlogP: 1.5751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0196224  Sterimol/B1: 2.087  Sterimol/B2: 2.37797  Sterimol/B3: 3.02717
  Sterimol/B4: 5.78191  Sterimol/L: 17.4131 
 
 Surface and Volume Properties
  Accessible surface: 481.083  Positive charged surface: 350.341  Negative charged surface: 130.742  Volume: 225.375
  Hydrophobic surface: 360.54  Hydrophilic surface: 120.543
 
 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: no related molecules available.