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CHEMBLOCK-ZINC03667397

 MMsINC code: MMs00539798
Type: Neutral
Formula: C13H15F2NO3
SMILES:   Fc1cc(F)ccc1NC(=O)CCC(OC(C)C)=O
InChI:   InChI=1/C13H15F2NO3/c1-8(2)19-13(18)6-5-12(17)16-11-4-3-9(14)7-10(11)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=37.9182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.263 g/mol  logS: -3.00336  SlogP: 2.6351  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.027106  Sterimol/B1: 2.75244  Sterimol/B2: 2.9124  Sterimol/B3: 3.71546
  Sterimol/B4: 5.16155  Sterimol/L: 17.2991 
 
 Surface and Volume Properties
  Accessible surface: 509.081  Positive charged surface: 302.43  Negative charged surface: 206.651  Volume: 243.25
  Hydrophobic surface: 393.099  Hydrophilic surface: 115.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.