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NCID-ZINC01615340

 MMsINC code: MMs02265017
Type: Neutral
Formula: C5H10N2O2
SMILES:   O=C(N)CCCC(=O)N
InChI:   InChI=1/C5H10N2O2/c6-4(8)2-1-3-5(7)9/h1-3H2,(H2,6,8)(H2,7,9)

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Potential Energy
Epot(MMFF94)=-3.29554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.147 g/mol  logS: -0.11327  SlogP: -0.8727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0367007  Sterimol/B1: 2.37489  Sterimol/B2: 2.37571  Sterimol/B3: 2.94001
  Sterimol/B4: 2.99834  Sterimol/L: 11.606 
 
 Surface and Volume Properties
  Accessible surface: 314.602  Positive charged surface: 225.699  Negative charged surface: 88.9024  Volume: 125.75
  Hydrophobic surface: 98.1579  Hydrophilic surface: 216.4441
 
 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.