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CHEMSTAR-ZINC03072894

 MMsINC code: MMs01082894
Type: Neutral
Formula: C8H14N2O2
SMILES:   O=C(NC1CCCCC1)C(=O)N
InChI:   InChI=1/C8H14N2O2/c9-7(11)8(12)10-6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,11)(H,10,12)

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Potential Energy
Epot(MMFF94)=21.9714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.212 g/mol  logS: -1.51281  SlogP: -0.0794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878141  Sterimol/B1: 2.86922  Sterimol/B2: 3.34021  Sterimol/B3: 3.51734
  Sterimol/B4: 3.93422  Sterimol/L: 12.3996 
 
 Surface and Volume Properties
  Accessible surface: 371.71  Positive charged surface: 268.135  Negative charged surface: 103.575  Volume: 166.5
  Hydrophobic surface: 212.258  Hydrophilic surface: 159.452
 
 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.