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CHEMBRIDGE-ZINC00939977

 MMsINC code: MMs00646168
Type: Neutral
Formula: C29H28N4O2
SMILES:   O=C(Nc1ccccc1C)Nc1ccc(cc1)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
InChI:   InChI=1/C29H28N4O2/c1-20-7-3-5-9-26(20)32-28(34)30-24-15-11-22(12-16-24)19-23-13-17-25(18-14-23)31-29(35)33-27-10-6-4-8-21(27)2/h3-18H,19H2,1-2H3,(H2,30,32,34)(H2,31,33,35)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.569 g/mol  logS: -7.55654  SlogP: 7.18221  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0421504  Sterimol/B1: 2.42258  Sterimol/B2: 2.89998  Sterimol/B3: 5.72006
  Sterimol/B4: 8.1867  Sterimol/L: 25.2432 
 
 Surface and Volume Properties
  Accessible surface: 814.396  Positive charged surface: 493.567  Negative charged surface: 320.829  Volume: 460.625
  Hydrophobic surface: 714.57  Hydrophilic surface: 99.826
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.