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PUBCHEM-ZINC00577774

 MMsINC code: MMs02708837
Type: Neutral
Formula: C14H14N2O3
SMILES:   o1cccc1C(=O)NNC(=O)Cc1ccc(cc1)C
InChI:   InChI=1/C14H14N2O3/c1-10-4-6-11(7-5-10)9-13(17)15-16-14(18)12-3-2-8-19-12/h2-8H,9H2,1H3,(H,15,17)(H,16,18)

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Potential Energy
Epot(MMFF94)=64.2192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.277 g/mol  logS: -3.87036  SlogP: 1.59169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416397  Sterimol/B1: 3.18323  Sterimol/B2: 3.61741  Sterimol/B3: 3.61828
  Sterimol/B4: 5.12318  Sterimol/L: 17.7921 
 
 Surface and Volume Properties
  Accessible surface: 515.211  Positive charged surface: 286.405  Negative charged surface: 228.806  Volume: 248.375
  Hydrophobic surface: 402.007  Hydrophilic surface: 113.204
 
 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.