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ENAMINE-ZINC02647015

 MMsINC code: MMs01272848
Type: Neutral
Formula: C18H17FN2O4
SMILES:   Fc1ccc(cc1)CNC(=O)CO\N=C\c1ccc(cc1)C(OC)=O
InChI:   InChI=1/C18H17FN2O4/c1-24-18(23)15-6-2-14(3-7-15)11-21-25-12-17(22)20-10-13-4-8-16(19)9-5-13/h2-9,11H,10,12H2,1H3,(H,20,22)/b21-11+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.5881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.342 g/mol  logS: -4.23572  SlogP: 2.5456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0192309  Sterimol/B1: 2.57528  Sterimol/B2: 3.61894  Sterimol/B3: 3.62033
  Sterimol/B4: 6.86204  Sterimol/L: 21.5607 
 
 Surface and Volume Properties
  Accessible surface: 646.963  Positive charged surface: 410.544  Negative charged surface: 236.419  Volume: 318.25
  Hydrophobic surface: 516.65  Hydrophilic surface: 130.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.