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ENAMINE-ZINC02618597

 MMsINC code: MMs01253915
Type: Neutral
Formula: C25H23N3O3
SMILES:   O=C1N(CC(=O)NC(C)c2ccccc2)C(=O)NC1(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H23N3O3/c1-18(19-11-5-2-6-12-19)26-22(29)17-28-23(30)25(27-24(28)31,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18H,17H2,1H3,(H,26,29)(H,27,31)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.5093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.477 g/mol  logS: -5.83797  SlogP: 3.7664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0882203  Sterimol/B1: 2.50638  Sterimol/B2: 5.20952  Sterimol/B3: 5.97447
  Sterimol/B4: 6.07885  Sterimol/L: 18.8296 
 
 Surface and Volume Properties
  Accessible surface: 692.639  Positive charged surface: 381.668  Negative charged surface: 310.971  Volume: 397.625
  Hydrophobic surface: 572.098  Hydrophilic surface: 120.541
 
 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.