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PUBCHEM-ZINC02014820

 MMsINC code: MMs02851261
Type: Neutral
Formula: C7H16N2O2
SMILES:   O(C(=O)C(NN)C(C)C)CC
InChI:   InChI=1/C7H16N2O2/c1-4-11-7(10)6(9-8)5(2)3/h5-6,9H,4,8H2,1-3H3/t6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.9096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.217 g/mol  logS: -0.72796  SlogP: 0.0374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101856  Sterimol/B1: 2.47778  Sterimol/B2: 3.78086  Sterimol/B3: 4.33366
  Sterimol/B4: 4.35841  Sterimol/L: 11.3831 
 
 Surface and Volume Properties
  Accessible surface: 380.023  Positive charged surface: 272.547  Negative charged surface: 107.476  Volume: 169.25
  Hydrophobic surface: 206.878  Hydrophilic surface: 173.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.