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PUBCHEM-ZINC00402094

 MMsINC code: MMs02676084
Type: Neutral
Formula: C6H10N2O2
SMILES:   O=C1NC(=O)N(CC1)CC
InChI:   InChI=1/C6H10N2O2/c1-2-8-4-3-5(9)7-6(8)10/h2-4H2,1H3,(H,7,9,10)

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Potential Energy
Epot(MMFF94)=-25.8918 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.158 g/mol  logS: -0.24362  SlogP: -0.0518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132844  Sterimol/B1: 2.26912  Sterimol/B2: 3.41549  Sterimol/B3: 3.52931
  Sterimol/B4: 3.95885  Sterimol/L: 10.4377 
 
 Surface and Volume Properties
  Accessible surface: 312.91  Positive charged surface: 216.709  Negative charged surface: 96.2008  Volume: 131.875
  Hydrophobic surface: 174.109  Hydrophilic surface: 138.801
 
 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.