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CHEMBRIDGE-ZINC02882862

 MMsINC code: MMs00734602
Type: Neutral
Formula: C26H26N2O2
SMILES:   O=C(N1CCCCC1)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1
InChI:   InChI=1/C26H26N2O2/c29-25(24(20-11-4-1-5-12-20)21-13-6-2-7-14-21)27-23-16-10-15-22(19-23)26(30)28-17-8-3-9-18-28/h1-2,4-7,10-16,19,24H,3,8-9,17-18H2,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.735 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.506 g/mol  logS: -5.85309  SlogP: 5.0833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11424  Sterimol/B1: 2.54402  Sterimol/B2: 3.74043  Sterimol/B3: 5.24586
  Sterimol/B4: 9.61953  Sterimol/L: 16.7825 
 
 Surface and Volume Properties
  Accessible surface: 689.453  Positive charged surface: 435.084  Negative charged surface: 254.369  Volume: 401
  Hydrophobic surface: 629.908  Hydrophilic surface: 59.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.