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CHEMBRIDGE-ZINC03879060

 MMsINC code: MMs00756095
Type: Neutral
Formula: C30H25N3O3
SMILES:   O(C)c1ccc(NC(=O)/C(/NC(=O)c2ccccc2)=C\c2cc3c4c(n(c3cc2)C)ccc
c4)cc1
InChI:   InChI=1/C30H25N3O3/c1-33-27-11-7-6-10-24(27)25-18-20(12-17-28(25)33)19-26(32-29(34)21-8-4-3-5-9-21)30(35)31-22-13-15-23(36-2)16-14-22/h3-19H,1-2H3,(H,31,35)(H,32,34)/b26-19+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 475.548 g/mol  logS: -7.94768  SlogP: 6.1089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1055  Sterimol/B1: 2.41792  Sterimol/B2: 3.45339  Sterimol/B3: 6.08702
  Sterimol/B4: 10.6494  Sterimol/L: 18.8598 
 
 Surface and Volume Properties
  Accessible surface: 757.941  Positive charged surface: 463.064  Negative charged surface: 288.642  Volume: 459.625
  Hydrophobic surface: 689.595  Hydrophilic surface: 68.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.