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ASINEX-ZINC04309845

 MMsINC code: MMs00324123
Type: Neutral
Formula: C25H20N2O2
SMILES:   Oc1ccc(cc1)\C=C\C1=NC(=O)C(c2ccccc2)=C(N1c1ccccc1)C
InChI:   InChI=1/C25H20N2O2/c1-18-24(20-8-4-2-5-9-20)25(29)26-23(27(18)21-10-6-3-7-11-21)17-14-19-12-15-22(28)16-13-19/h2-17,28H,1H3/b17-14+

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Potential Energy
Epot(MMFF94)=123.364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.447 g/mol  logS: -6.37989  SlogP: 5.2819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519181  Sterimol/B1: 3.63698  Sterimol/B2: 3.73635  Sterimol/B3: 5.05655
  Sterimol/B4: 6.66001  Sterimol/L: 19.1056 
 
 Surface and Volume Properties
  Accessible surface: 663.037  Positive charged surface: 360.984  Negative charged surface: 302.053  Volume: 378.625
  Hydrophobic surface: 553.417  Hydrophilic surface: 109.62
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.