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PUBCHEM-ZINC00728316

 MMsINC code: MMs02733747
Type: Neutral
Formula: C24H26N2O2
SMILES:   OC(CCC(=O)NNc1ccccc1)(c1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C24H26N2O2/c1-18-8-12-20(13-9-18)24(28,21-14-10-19(2)11-15-21)17-16-23(27)26-25-22-6-4-3-5-7-22/h3-15,25,28H,16-17H2,1-2H3,(H,26,27)

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Potential Energy
Epot(MMFF94)=127.246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -5.64905  SlogP: 4.77434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0689078  Sterimol/B1: 2.16599  Sterimol/B2: 2.73021  Sterimol/B3: 5.14462
  Sterimol/B4: 10.2902  Sterimol/L: 19.7118 
 
 Surface and Volume Properties
  Accessible surface: 698.801  Positive charged surface: 405.098  Negative charged surface: 293.703  Volume: 384.625
  Hydrophobic surface: 608.146  Hydrophilic surface: 90.655
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.