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PUBCHEM-ZINC03273616

 MMsINC code: MMs03010742
Type: Neutral
Formula: C25H24N2O5
SMILES:   O1c2cc(ccc2OC1)CNC(=O)COC(=O)c1ccccc1Nc1cccc(C)c1C
InChI:   InChI=1/C25H24N2O5/c1-16-6-5-9-20(17(16)2)27-21-8-4-3-7-19(21)25(29)30-14-24(28)26-13-18-10-11-22-23(12-18)32-15-31-22/h3-12,27H,13-15H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.476 g/mol  logS: -5.91689  SlogP: 4.51534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.059519  Sterimol/B1: 2.18126  Sterimol/B2: 3.9494  Sterimol/B3: 4.75284
  Sterimol/B4: 11.228  Sterimol/L: 18.9473 
 
 Surface and Volume Properties
  Accessible surface: 739.658  Positive charged surface: 472.818  Negative charged surface: 266.84  Volume: 411.125
  Hydrophobic surface: 603.618  Hydrophilic surface: 136.04
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.