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CHEMDIV-ZINC04668048

 MMsINC code: MMs00940552
Type: Neutral
Formula: C26H27N3O2
SMILES:   O(CC)c1ccc(NC(=O)N(Cc2ccccc2)Cc2c3c(n(c2)C)cccc3)cc1
InChI:   InChI=1/C26H27N3O2/c1-3-31-23-15-13-22(14-16-23)27-26(30)29(17-20-9-5-4-6-10-20)19-21-18-28(2)25-12-8-7-11-24(21)25/h4-16,18H,3,17,19H2,1-2H3,(H,27,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.9823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.521 g/mol  logS: -5.4195  SlogP: 6.7033  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082265  Sterimol/B1: 3.6922  Sterimol/B2: 4.16295  Sterimol/B3: 4.8203
  Sterimol/B4: 9.82529  Sterimol/L: 18.6956 
 
 Surface and Volume Properties
  Accessible surface: 724.203  Positive charged surface: 455.228  Negative charged surface: 264.925  Volume: 421.375
  Hydrophobic surface: 649.213  Hydrophilic surface: 74.99
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.