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PUBCHEM-ZINC01025724

 MMsINC code: MMs02759607
Type: Neutral
Formula: C14H20N2O2
SMILES:   O=C1NC=C(C=C1)C(=O)NC1CCCCCCC1
InChI:   InChI=1/C14H20N2O2/c17-13-9-8-11(10-15-13)14(18)16-12-6-4-2-1-3-5-7-12/h8-10,12H,1-7H2,(H,15,17)(H,16,18)

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Potential Energy
Epot(MMFF94)=93.4582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.326 g/mol  logS: -3.37408  SlogP: 1.7854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0961287  Sterimol/B1: 3.17632  Sterimol/B2: 3.53564  Sterimol/B3: 3.85946
  Sterimol/B4: 4.80714  Sterimol/L: 14.6029 
 
 Surface and Volume Properties
  Accessible surface: 466.255  Positive charged surface: 297.755  Negative charged surface: 168.501  Volume: 245.5
  Hydrophobic surface: 357.026  Hydrophilic surface: 109.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.