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CHEMBRIDGE-ZINC00997555

 MMsINC code: MMs00651220
Type: Neutral
Formula: C26H24N2O2
SMILES:   O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C26H24N2O2/c1-3-30-21-15-13-20(14-16-21)25-17-23(22-11-7-8-12-24(22)28-25)26(29)27-18(2)19-9-5-4-6-10-19/h4-18H,3H2,1-2H3,(H,27,29)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.87 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -6.98743  SlogP: 5.887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0360365  Sterimol/B1: 3.44536  Sterimol/B2: 3.77119  Sterimol/B3: 5.35841
  Sterimol/B4: 10.9125  Sterimol/L: 16.2836 
 
 Surface and Volume Properties
  Accessible surface: 709.733  Positive charged surface: 403.603  Negative charged surface: 295.058  Volume: 399
  Hydrophobic surface: 614.753  Hydrophilic surface: 94.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.