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ENAMINE-ZINC05258145

 MMsINC code: MMs01602899
Type: Neutral
Formula: C15H14N2O2
SMILES:   O(C(=O)c1ccc(N=Nc2ccc(cc2)C)cc1)C
InChI:   InChI=1/C15H14N2O2/c1-11-3-7-13(8-4-11)16-17-14-9-5-12(6-10-14)15(18)19-2/h3-10H,1-2H3/b17-16+

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Potential Energy
Epot(MMFF94)=67.1418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.289 g/mol  logS: -4.13333  SlogP: 4.19702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00423227  Sterimol/B1: 2.37793  Sterimol/B2: 2.5122  Sterimol/B3: 3.88766
  Sterimol/B4: 4.24688  Sterimol/L: 17.9402 
 
 Surface and Volume Properties
  Accessible surface: 523.783  Positive charged surface: 317.674  Negative charged surface: 206.109  Volume: 254.625
  Hydrophobic surface: 483.53  Hydrophilic surface: 40.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.