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ACROSORGANICS-ZINC02567675

 MMsINC code: MMs00014458
Type: Neutral
Formula: C14H18FNO4
SMILES:   Fc1cc(ccc1)CC(NC(OC(C)(C)C)=O)C(O)=O
InChI:   InChI=1/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.1452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.299 g/mol  logS: -2.94175  SlogP: 2.34607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134728  Sterimol/B1: 3.33849  Sterimol/B2: 3.98855  Sterimol/B3: 5.51561
  Sterimol/B4: 5.96114  Sterimol/L: 12.5681 
 
 Surface and Volume Properties
  Accessible surface: 520.033  Positive charged surface: 303.365  Negative charged surface: 216.668  Volume: 264
  Hydrophobic surface: 351.626  Hydrophilic surface: 168.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00014459
ACROSORGANICS-ZINC02567675