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ENAMINE-ZINC03428861

 MMsINC code: MMs01436258
Type: Neutral
Formula: C15H19FN2O4
SMILES:   Fc1cc(ccc1)C(=O)NCC(OCC(=O)NC(CC)C)=O
InChI:   InChI=1/C15H19FN2O4/c1-3-10(2)18-13(19)9-22-14(20)8-17-15(21)11-5-4-6-12(16)7-11/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,19)/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.9806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.325 g/mol  logS: -3.26292  SlogP: 1.0134  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0273514  Sterimol/B1: 2.3407  Sterimol/B2: 2.94057  Sterimol/B3: 5.04911
  Sterimol/B4: 5.33192  Sterimol/L: 19.3209 
 
 Surface and Volume Properties
  Accessible surface: 591.894  Positive charged surface: 360.592  Negative charged surface: 231.302  Volume: 286.625
  Hydrophobic surface: 417.122  Hydrophilic surface: 174.772
 
 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.