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ENAMINE-ZINC03308246

 MMsINC code: MMs01362422
Type: Neutral
Formula: C7H10N2O2S
SMILES:   S=C1NC(=O)CC(=O)N1CCC
InChI:   InChI=1/C7H10N2O2S/c1-2-3-9-6(11)4-5(10)8-7(9)12/h2-4H2,1H3,(H,8,10,12)

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Potential Energy
Epot(MMFF94)=-6.32479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.235 g/mol  logS: -2.08598  SlogP: 0.0298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083902  Sterimol/B1: 2.42973  Sterimol/B2: 3.03238  Sterimol/B3: 3.89363
  Sterimol/B4: 5.01224  Sterimol/L: 11.4544 
 
 Surface and Volume Properties
  Accessible surface: 354.818  Positive charged surface: 197.329  Negative charged surface: 157.489  Volume: 164.625
  Hydrophobic surface: 156.897  Hydrophilic surface: 197.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.