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CHEMBRIDGE-ZINC02837994

 MMsINC code: MMs00723357
Type: Neutral
Formula: C25H26N2O3
SMILES:   O(Cc1ccccc1)c1cc(ccc1)C(=O)Nc1cc(NC(=O)CCCC)ccc1
InChI:   InChI=1/C25H26N2O3/c1-2-3-15-24(28)26-21-12-8-13-22(17-21)27-25(29)20-11-7-14-23(16-20)30-18-19-9-5-4-6-10-19/h4-14,16-17H,2-3,15,18H2,1H3,(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.494 g/mol  logS: -6.61481  SlogP: 5.913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234374  Sterimol/B1: 2.98184  Sterimol/B2: 3.22639  Sterimol/B3: 4.15467
  Sterimol/B4: 9.40015  Sterimol/L: 21.7754 
 
 Surface and Volume Properties
  Accessible surface: 757.837  Positive charged surface: 465.438  Negative charged surface: 292.399  Volume: 402.875
  Hydrophobic surface: 645.86  Hydrophilic surface: 111.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.