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ENAMINE-ZINC03528540

 MMsINC code: MMs01492518
Type: Neutral
Formula: C27H26N4O5
SMILES:   O(CC(=O)N(Cc1ccccc1)C=1C(=O)NC(=O)N(Cc2ccccc2)C=1N)c1ccc(OC)
cc1
InChI:   InChI=1/C27H26N4O5/c1-35-21-12-14-22(15-13-21)36-18-23(32)30(16-19-8-4-2-5-9-19)24-25(28)31(27(34)29-26(24)33)17-20-10-6-3-7-11-20/h2-15H,16-18,28H2,1H3,(H,29,33,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.528 g/mol  logS: -5.91621  SlogP: 3.5154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0687896  Sterimol/B1: 2.77072  Sterimol/B2: 4.49861  Sterimol/B3: 5.02917
  Sterimol/B4: 9.33795  Sterimol/L: 20.0825 
 
 Surface and Volume Properties
  Accessible surface: 773.844  Positive charged surface: 463.615  Negative charged surface: 310.229  Volume: 454.25
  Hydrophobic surface: 597.036  Hydrophilic surface: 176.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.