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ACROSORGANICS-ZINC02567676

 MMsINC code: MMs00014460
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.1628 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: 0.134435  Sterimol/B1: 2.27918  Sterimol/B2: 3.88918  Sterimol/B3: 4.84698
  Sterimol/B4: 7.58717  Sterimol/L: 12.4986 
 
 Surface and Volume Properties
  Accessible surface: 520.89  Positive charged surface: 302.082  Negative charged surface: 218.809  Volume: 264.25
  Hydrophobic surface: 352.644  Hydrophilic surface: 168.246
 
 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


MMs00014461
ACROSORGANICS-ZINC02567676