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CHEMDIV-ZINC04563873

 MMsINC code: MMs00937643
Type: Neutral
Formula: C26H24N2O2
SMILES:   O=C1N2C(c3c(CC2)cccc3)C(c2c1cccc2)C(=O)Nc1ccccc1CC
InChI:   InChI=1/C26H24N2O2/c1-2-17-9-4-8-14-22(17)27-25(29)23-20-12-6-7-13-21(20)26(30)28-16-15-18-10-3-5-11-19(18)24(23)28/h3-14,23-24H,2,15-16H2,1H3,(H,27,29)/t23-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -6.10734  SlogP: 4.81994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206122  Sterimol/B1: 2.55664  Sterimol/B2: 4.80407  Sterimol/B3: 7.51652
  Sterimol/B4: 8.41407  Sterimol/L: 14.7045 
 
 Surface and Volume Properties
  Accessible surface: 640.594  Positive charged surface: 363.215  Negative charged surface: 277.379  Volume: 391.5
  Hydrophobic surface: 571.054  Hydrophilic surface: 69.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.