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BACHEM-ZINC02244315

 MMsINC code: MMs00482816
Type: Neutral
Formula: C7H10N2O2
SMILES:   O(C(=O)c1n(cc(N)c1)C)C
InChI:   InChI=1/C7H10N2O2/c1-9-4-5(8)3-6(9)7(10)11-2/h3-4H,8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.169 g/mol  logS: 0.02236  SlogP: 0.7531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0228498  Sterimol/B1: 2.30166  Sterimol/B2: 2.38027  Sterimol/B3: 2.51301
  Sterimol/B4: 5.87807  Sterimol/L: 11.5211 
 
 Surface and Volume Properties
  Accessible surface: 348.627  Positive charged surface: 270.148  Negative charged surface: 78.4795  Volume: 150
  Hydrophobic surface: 222.608  Hydrophilic surface: 126.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.