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ENAMINE-ZINC03318018

 MMsINC code: MMs01368284
Type: Neutral
Formula: C13H9ClFNO3S
SMILES:   Clc1cc(F)ccc1NC(=O)COC(=O)c1sccc1
InChI:   InChI=1/C13H9ClFNO3S/c14-9-6-8(15)3-4-10(9)16-12(17)7-19-13(18)11-2-1-5-20-11/h1-6H,7H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=62.7135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.736 g/mol  logS: -4.59898  SlogP: 3.3361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140023  Sterimol/B1: 2.70205  Sterimol/B2: 2.95392  Sterimol/B3: 3.69889
  Sterimol/B4: 5.19592  Sterimol/L: 16.9711 
 
 Surface and Volume Properties
  Accessible surface: 517.398  Positive charged surface: 214.651  Negative charged surface: 302.747  Volume: 252.625
  Hydrophobic surface: 436.441  Hydrophilic surface: 80.957
 
 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.