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PUBCHEM-ZINC05090764

 MMsINC code: MMs03198113
Type: Neutral
Formula: C26H24N2O2
SMILES:   Oc1ccc(cc1)C1Nc2cc(ccc2NC2=C1C(=O)CC(C2)c1ccccc1)C
InChI:   InChI=1/C26H24N2O2/c1-16-7-12-21-22(13-16)28-26(18-8-10-20(29)11-9-18)25-23(27-21)14-19(15-24(25)30)17-5-3-2-4-6-17/h2-13,19,26-29H,14-15H2,1H3/t19-,26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -5.53543  SlogP: 5.77562  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.128847  Sterimol/B1: 2.69592  Sterimol/B2: 3.96557  Sterimol/B3: 4.77098
  Sterimol/B4: 8.56378  Sterimol/L: 16.9742 
 
 Surface and Volume Properties
  Accessible surface: 646.894  Positive charged surface: 412.459  Negative charged surface: 234.435  Volume: 390.125
  Hydrophobic surface: 529.423  Hydrophilic surface: 117.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.