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IBS-ZINC02208791

 MMsINC code: MMs01803403
Type: Neutral
Formula: C28H26N2O2
SMILES:   OC(C(=O)N(Nc1ccc(cc1)C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C28H26N2O2/c1-21-13-17-25(18-14-21)29-30(26-19-15-22(2)16-20-26)27(31)28(32,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,29,32H,1-2H3

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Potential Energy
Epot(MMFF94)=181.012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.528 g/mol  logS: -7.28323  SlogP: 5.91114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.383827  Sterimol/B1: 2.39863  Sterimol/B2: 5.30771  Sterimol/B3: 6.36793
  Sterimol/B4: 11.3576  Sterimol/L: 13.6613 
 
 Surface and Volume Properties
  Accessible surface: 712.606  Positive charged surface: 409.357  Negative charged surface: 303.249  Volume: 428.625
  Hydrophobic surface: 692.227  Hydrophilic surface: 20.379
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.