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PUBCHEM-ZINC02867806

 MMsINC code: MMs02947256
Type: Neutral
Formula: C27H26N2O4
SMILES:   O(C)c1cc(ccc1OC)CNC(=O)c1cc(nc2c1cccc2)-c1ccc(OCC)cc1
InChI:   InChI=1/C27H26N2O4/c1-4-33-20-12-10-19(11-13-20)24-16-22(21-7-5-6-8-23(21)29-24)27(30)28-17-18-9-14-25(31-2)26(15-18)32-3/h5-16H,4,17H2,1-3H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.515 g/mol  logS: -6.76098  SlogP: 5.5141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0997298  Sterimol/B1: 2.25121  Sterimol/B2: 4.18753  Sterimol/B3: 5.42927
  Sterimol/B4: 15.1981  Sterimol/L: 15.7427 
 
 Surface and Volume Properties
  Accessible surface: 783.423  Positive charged surface: 523.92  Negative charged surface: 247.85  Volume: 433.125
  Hydrophobic surface: 677.029  Hydrophilic surface: 106.394
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.