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FRINTON-ZINC06129910

 MMsINC code: MMs01728164
Type: Neutral
Formula: C5H10N2O2
SMILES:   O=C(N)C(CC(=O)N)C
InChI:   InChI=1/C5H10N2O2/c1-3(5(7)9)2-4(6)8/h3H,2H2,1H3,(H2,6,8)(H2,7,9)/t3-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.794264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.147 g/mol  logS: -0.11327  SlogP: -1.0168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0936768  Sterimol/B1: 2.12766  Sterimol/B2: 2.54982  Sterimol/B3: 3.35029
  Sterimol/B4: 5.03339  Sterimol/L: 10.2953 
 
 Surface and Volume Properties
  Accessible surface: 305.418  Positive charged surface: 209.422  Negative charged surface: 95.9962  Volume: 123.25
  Hydrophobic surface: 84.5174  Hydrophilic surface: 220.9006
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.