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CHEMBRIDGE-ZINC01065841

 MMsINC code: MMs00656965
Type: Neutral
Formula: C27H24N2O5
SMILES:   O1c2c(C=C(c3ccc(cc3)C(=O)Nc3cc(OC)c(NC(=O)C(C)C)cc3)C1=O)ccc
c2
InChI:   InChI=1/C27H24N2O5/c1-16(2)25(30)29-22-13-12-20(15-24(22)33-3)28-26(31)18-10-8-17(9-11-18)21-14-19-6-4-5-7-23(19)34-27(21)32/h4-16H,1-3H3,(H,28,31)(H,29,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.498 g/mol  logS: -7.18185  SlogP: 5.0016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0152386  Sterimol/B1: 2.32275  Sterimol/B2: 3.86994  Sterimol/B3: 4.40508
  Sterimol/B4: 6.546  Sterimol/L: 24.8605 
 
 Surface and Volume Properties
  Accessible surface: 775.907  Positive charged surface: 476.423  Negative charged surface: 299.484  Volume: 429.75
  Hydrophobic surface: 611.086  Hydrophilic surface: 164.821
 
 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.