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PUBCHEM-ZINC02904832

 MMsINC code: MMs02956931
Type: Neutral
Formula: C29H28N4O2
SMILES:   O=C(Nc1ccc(cc1C)Cc1cc(C)c(NC(=O)Nc2ccccc2)cc1)Nc1ccccc1
InChI:   InChI=1/C29H28N4O2/c1-20-17-22(13-15-26(20)32-28(34)30-24-9-5-3-6-10-24)19-23-14-16-27(21(2)18-23)33-29(35)31-25-11-7-4-8-12-25/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)=128.579 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: 0.0576441  Sterimol/B1: 2.08531  Sterimol/B2: 2.66554  Sterimol/B3: 6.13707
  Sterimol/B4: 10.7089  Sterimol/L: 20.7156 
 
 Surface and Volume Properties
  Accessible surface: 828.164  Positive charged surface: 499.072  Negative charged surface: 329.092  Volume: 459.375
  Hydrophobic surface: 729.312  Hydrophilic surface: 98.852
 
 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.