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ACROSORGANICS-ZINC02379468

 MMsINC code: MMs00013421
Type: Ionized
Formula: C13H15FNO4-
SMILES:   Fc1ccc(cc1)C(NC(OC(C)(C)C)=O)C(=O)[O-]
InChI:   InChI=1/C13H16FNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)/p-1/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.0799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.264 g/mol  logS: -3.14073  SlogP: 1.2369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158715  Sterimol/B1: 2.57928  Sterimol/B2: 3.80688  Sterimol/B3: 3.81644
  Sterimol/B4: 6.96533  Sterimol/L: 12.8275 
 
 Surface and Volume Properties
  Accessible surface: 495.771  Positive charged surface: 275.771  Negative charged surface: 220.001  Volume: 246.125
  Hydrophobic surface: 332.429  Hydrophilic surface: 163.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00013420
ACROSORGANICS-ZINC02379468