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ENAMINE-ZINC06839438

 MMsINC code: MMs01702184
Type: Neutral
Formula: C23H18N4O3
SMILES:   Oc1ccccc1\C=N\NC(=O)C1=NN(Cc2ccccc2)C(=O)c2c1cccc2
InChI:   InChI=1/C23H18N4O3/c28-20-13-7-4-10-17(20)14-24-25-22(29)21-18-11-5-6-12-19(18)23(30)27(26-21)15-16-8-2-1-3-9-16/h1-14,28H,15H2,(H,25,29)/b24-14+

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Potential Energy
Epot(MMFF94)=148.557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.422 g/mol  logS: -5.67112  SlogP: 3.169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.044975  Sterimol/B1: 2.14834  Sterimol/B2: 2.29763  Sterimol/B3: 5.31722
  Sterimol/B4: 10.9592  Sterimol/L: 17.8012 
 
 Surface and Volume Properties
  Accessible surface: 677.607  Positive charged surface: 394.763  Negative charged surface: 282.844  Volume: 373.5
  Hydrophobic surface: 536.785  Hydrophilic surface: 140.822
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.