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NCID-ZINC01720116

 MMsINC code: MMs02345110
Type: Neutral
Formula: C5H10N2O2
SMILES:   O=C(N)C(C(=O)N)(C)C
InChI:   InChI=1/C5H10N2O2/c1-5(2,3(6)8)4(7)9/h1-2H3,(H2,6,8)(H2,7,9)

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Potential Energy
Epot(MMFF94)=20.36 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.147 g/mol  logS: -0.43312  SlogP: -1.0168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.338158  Sterimol/B1: 2.11601  Sterimol/B2: 2.37449  Sterimol/B3: 4.70612
  Sterimol/B4: 4.87474  Sterimol/L: 9.10693 
 
 Surface and Volume Properties
  Accessible surface: 293.26  Positive charged surface: 187.928  Negative charged surface: 105.333  Volume: 123.875
  Hydrophobic surface: 82.7738  Hydrophilic surface: 210.4862
 
 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.