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CHEMBRIDGE-ZINC01218803

 MMsINC code: MMs00689916
Type: Neutral
Formula: C15H16FNO4
SMILES:   Fc1ccc(cc1)CNC(=O)C1C2OC(CC2)C1C(O)=O
InChI:   InChI=1/C15H16FNO4/c16-9-3-1-8(2-4-9)7-17-14(18)12-10-5-6-11(21-10)13(12)15(19)20/h1-4,10-13H,5-7H2,(H,17,18)(H,19,20)/t10-,11+,12-,13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.2888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.294 g/mol  logS: -2.17865  SlogP: 1.5865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0868123  Sterimol/B1: 2.63997  Sterimol/B2: 3.64687  Sterimol/B3: 4.36347
  Sterimol/B4: 4.42445  Sterimol/L: 15.0235 
 
 Surface and Volume Properties
  Accessible surface: 502.486  Positive charged surface: 300.055  Negative charged surface: 202.431  Volume: 260.5
  Hydrophobic surface: 351.567  Hydrophilic surface: 150.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs00689917
CHEMBRIDGE-ZINC01218803