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PUBCHEM-ZINC00403573

 MMsINC code: MMs02676542
Type: Neutral
Formula: C7H10N2O2
SMILES:   O=C1NC(=O)NC=C1CCC
InChI:   InChI=1/C7H10N2O2/c1-2-3-5-4-8-7(11)9-6(5)10/h4H,2-3H2,1H3,(H2,8,9,10,11)

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Potential Energy
Epot(MMFF94)=-20.0299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.169 g/mol  logS: -1.46044  SlogP: 0.5098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0747032  Sterimol/B1: 2.49936  Sterimol/B2: 3.09339  Sterimol/B3: 3.6522
  Sterimol/B4: 3.96441  Sterimol/L: 11.4348 
 
 Surface and Volume Properties
  Accessible surface: 332.95  Positive charged surface: 210.556  Negative charged surface: 122.394  Volume: 141.125
  Hydrophobic surface: 157.927  Hydrophilic surface: 175.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.