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ENAMINE-ZINC06589336

 MMsINC code: MMs01680390
Type: Neutral
Formula: C24H26N2O2
SMILES:   O(C)c1ccc(cc1)CNC(=O)C(NC(c1ccccc1)c1ccccc1)C
InChI:   InChI=1/C24H26N2O2/c1-18(24(27)25-17-19-13-15-22(28-2)16-14-19)26-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18,23,26H,17H2,1-2H3,(H,25,27)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.2671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -5.21134  SlogP: 4.441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0721762  Sterimol/B1: 2.62289  Sterimol/B2: 2.87188  Sterimol/B3: 5.03524
  Sterimol/B4: 8.25749  Sterimol/L: 20.0553 
 
 Surface and Volume Properties
  Accessible surface: 699.742  Positive charged surface: 439.674  Negative charged surface: 260.068  Volume: 389.5
  Hydrophobic surface: 622.898  Hydrophilic surface: 76.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.