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CHEMDIV-ZINC04563809

 MMsINC code: MMs00937601
Type: Neutral
Formula: C26H24N2O2
SMILES:   O=C1N2C(c3c(CC2)cccc3)C(c2c1cccc2)C(=O)Nc1cc(ccc1)CC
InChI:   InChI=1/C26H24N2O2/c1-2-17-8-7-10-19(16-17)27-25(29)23-21-12-5-6-13-22(21)26(30)28-15-14-18-9-3-4-11-20(18)24(23)28/h3-13,16,23-24H,2,14-15H2,1H3,(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)=126.161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -6.42079  SlogP: 4.81994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111603  Sterimol/B1: 3.48967  Sterimol/B2: 4.89014  Sterimol/B3: 6.22866
  Sterimol/B4: 6.53929  Sterimol/L: 16.5401 
 
 Surface and Volume Properties
  Accessible surface: 665.703  Positive charged surface: 392.382  Negative charged surface: 273.32  Volume: 390.625
  Hydrophobic surface: 585.034  Hydrophilic surface: 80.669
 
 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.