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CHEMDIV-ZINC04563874

 MMsINC code: MMs00937644
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+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.663 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: 0.200659  Sterimol/B1: 2.36418  Sterimol/B2: 5.71191  Sterimol/B3: 7.06303
  Sterimol/B4: 7.76483  Sterimol/L: 14.3428 
 
 Surface and Volume Properties
  Accessible surface: 638.767  Positive charged surface: 362.955  Negative charged surface: 275.811  Volume: 388.75
  Hydrophobic surface: 571.766  Hydrophilic surface: 67.001
 
 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.