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CHEMBRIDGE-ZINC01234091

 MMsINC code: MMs00693270
Type: Neutral
Formula: C30H22N4O2
SMILES:   O=C(Nc1ccc(cc1)-c1cnc(nc1)-c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1
InChI:   InChI=1/C30H22N4O2/c35-29(23-7-3-1-4-8-23)33-26-15-11-21(12-16-26)25-19-31-28(32-20-25)22-13-17-27(18-14-22)34-30(36)24-9-5-2-6-10-24/h1-20H,(H,33,35)(H,34,36)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.532 g/mol  logS: -9.33976  SlogP: 6.3152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00359167  Sterimol/B1: 2.43514  Sterimol/B2: 2.89175  Sterimol/B3: 3.88239
  Sterimol/B4: 4.15001  Sterimol/L: 29.0283 
 
 Surface and Volume Properties
  Accessible surface: 794.705  Positive charged surface: 430.002  Negative charged surface: 349.675  Volume: 453.625
  Hydrophobic surface: 699.495  Hydrophilic surface: 95.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.