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CHEMBRIDGE-ZINC02134745

 MMsINC code: MMs00702959
Type: Neutral
Formula: C26H32N2O2
SMILES:   O=C(Nc1ccc(cc1)-c1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1
InChI:   InChI=1/C26H32N2O2/c29-25(21-7-3-1-4-8-21)27-23-15-11-19(12-16-23)20-13-17-24(18-14-20)28-26(30)22-9-5-2-6-10-22/h11-18,21-22H,1-10H2,(H,27,29)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.4304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.554 g/mol  logS: -7.92448  SlogP: 6.3912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0205897  Sterimol/B1: 3.27658  Sterimol/B2: 3.31012  Sterimol/B3: 4.12233
  Sterimol/B4: 5.12202  Sterimol/L: 24.8746 
 
 Surface and Volume Properties
  Accessible surface: 734.357  Positive charged surface: 503.713  Negative charged surface: 220.839  Volume: 415.25
  Hydrophobic surface: 668.792  Hydrophilic surface: 65.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.