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CHEMSTAR-ZINC04525752

 MMsINC code: MMs01115138
Type: Neutral
Formula: C7H12N2O2
SMILES:   O=C(NC1CCCC1)C(=O)N
InChI:   InChI=1/C7H12N2O2/c8-6(10)7(11)9-5-3-1-2-4-5/h5H,1-4H2,(H2,8,10)(H,9,11)

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Potential Energy
Epot(MMFF94)=26.7259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.185 g/mol  logS: -0.99759  SlogP: -0.4695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843602  Sterimol/B1: 2.54859  Sterimol/B2: 2.85786  Sterimol/B3: 3.10564
  Sterimol/B4: 4.37901  Sterimol/L: 11.6299 
 
 Surface and Volume Properties
  Accessible surface: 355.605  Positive charged surface: 251.466  Negative charged surface: 104.14  Volume: 150.125
  Hydrophobic surface: 195.827  Hydrophilic surface: 159.778
 
 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.