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CHEMBRIDGE-ZINC00995091

 MMsINC code: MMs00650877
Type: Neutral
Formula: C27H26N2O4
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)c1cc(nc2c1cccc2)-c1cc(OC)ccc1
InChI:   InChI=1/C27H26N2O4/c1-31-20-8-6-7-19(16-20)24-17-22(21-9-4-5-10-23(21)29-24)27(30)28-14-13-18-11-12-25(32-2)26(15-18)33-3/h4-12,15-17H,13-14H2,1-3H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.515 g/mol  logS: -6.49524  SlogP: 4.90007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0558791  Sterimol/B1: 2.30229  Sterimol/B2: 3.89023  Sterimol/B3: 5.5924
  Sterimol/B4: 11.0816  Sterimol/L: 22.4756 
 
 Surface and Volume Properties
  Accessible surface: 775.608  Positive charged surface: 528.784  Negative charged surface: 237.101  Volume: 433
  Hydrophobic surface: 693.876  Hydrophilic surface: 81.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.