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PUBCHEM-ZINC00399493

 MMsINC code: MMs02675179
Type: Neutral
Formula: C5H10N2O2
SMILES:   O=C(N)C(NC(=O)C)C
InChI:   InChI=1/C5H10N2O2/c1-3(5(6)9)7-4(2)8/h3H,1-2H3,(H2,6,9)(H,7,8)/t3-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.3258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.147 g/mol  logS: -0.37624  SlogP: -1.0037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0987715  Sterimol/B1: 2.25534  Sterimol/B2: 2.55358  Sterimol/B3: 3.53228
  Sterimol/B4: 5.13274  Sterimol/L: 10.3368 
 
 Surface and Volume Properties
  Accessible surface: 315.97  Positive charged surface: 204.907  Negative charged surface: 111.063  Volume: 124.625
  Hydrophobic surface: 144.611  Hydrophilic surface: 171.359
 
 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.