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ENAMINE-ZINC06601718

 MMsINC code: MMs01683006
Type: Neutral
Formula: C15H16N2O3
SMILES:   O(C(=O)c1c(C)c([nH]c1C)C(=O)Nc1ccccc1)C
InChI:   InChI=1/C15H16N2O3/c1-9-12(15(19)20-3)10(2)16-13(9)14(18)17-11-7-5-4-6-8-11/h4-8,16H,1-3H3,(H,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.2134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.304 g/mol  logS: -2.8066  SlogP: 2.67044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234161  Sterimol/B1: 2.01766  Sterimol/B2: 2.74294  Sterimol/B3: 3.33641
  Sterimol/B4: 7.00001  Sterimol/L: 16.6547 
 
 Surface and Volume Properties
  Accessible surface: 523.139  Positive charged surface: 324.7  Negative charged surface: 198.44  Volume: 262
  Hydrophobic surface: 427.335  Hydrophilic surface: 95.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.