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ENAMINE-ZINC03499879

 MMsINC code: MMs01476217
Type: Neutral
Formula: C23H25N3O3
SMILES:   O(C(=O)c1c(n(nc1C)Cc1ccccc1)C)CC(=O)NC(C)c1ccccc1
InChI:   InChI=1/C23H25N3O3/c1-16(20-12-8-5-9-13-20)24-21(27)15-29-23(28)22-17(2)25-26(18(22)3)14-19-10-6-4-7-11-19/h4-13,16H,14-15H2,1-3H3,(H,24,27)/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=92.391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.471 g/mol  logS: -4.75902  SlogP: 3.94434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.047255  Sterimol/B1: 2.23105  Sterimol/B2: 3.92017  Sterimol/B3: 4.1884
  Sterimol/B4: 7.45178  Sterimol/L: 21.5869 
 
 Surface and Volume Properties
  Accessible surface: 720.231  Positive charged surface: 426.986  Negative charged surface: 293.245  Volume: 391.25
  Hydrophobic surface: 604.05  Hydrophilic surface: 116.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.