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ENAMINE-ZINC03291411

 MMsINC code: MMs01353520
Type: Neutral
Formula: C24H24N2O2
SMILES:   O(C)c1cc(NC(=O)C(Nc2cc3CCCc3cc2)c2ccccc2)ccc1
InChI:   InChI=1/C24H24N2O2/c1-28-22-12-6-11-20(16-22)26-24(27)23(18-7-3-2-4-8-18)25-21-14-13-17-9-5-10-19(17)15-21/h2-4,6-8,11-16,23,25H,5,9-10H2,1H3,(H,26,27)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -6.35707  SlogP: 5.07124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561048  Sterimol/B1: 3.95339  Sterimol/B2: 4.29852  Sterimol/B3: 4.83304
  Sterimol/B4: 6.97392  Sterimol/L: 20.129 
 
 Surface and Volume Properties
  Accessible surface: 672.188  Positive charged surface: 441.949  Negative charged surface: 230.239  Volume: 376
  Hydrophobic surface: 623.297  Hydrophilic surface: 48.891
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.