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ENAMINE-ZINC06790576

 MMsINC code: MMs01699694
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(NC(CC(=O)Nc1cc(ccc1C)C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-17-13-14-18(2)21(15-17)25-23(27)16-22(19-9-5-3-6-10-19)26-24(28)20-11-7-4-8-12-20/h3-15,22H,16H2,1-2H3,(H,25,27)(H,26,28)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -5.81165  SlogP: 4.89884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181933  Sterimol/B1: 2.25183  Sterimol/B2: 6.06473  Sterimol/B3: 7.05547
  Sterimol/B4: 7.1993  Sterimol/L: 15.4315 
 
 Surface and Volume Properties
  Accessible surface: 684.099  Positive charged surface: 398.686  Negative charged surface: 285.414  Volume: 380.25
  Hydrophobic surface: 637.438  Hydrophilic surface: 46.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.