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PUBCHEM-ZINC01001757

 MMsINC code: MMs02753794
Type: Neutral
Formula: C14H7ClFNO3S
SMILES:   Clc1cc(ccc1F)-c1oc(cc1)\C=C\1/SC(=O)NC/1=O
InChI:   InChI=1/C14H7ClFNO3S/c15-9-5-7(1-3-10(9)16)11-4-2-8(20-11)6-12-13(18)17-14(19)21-12/h1-6H,(H,17,18,19)/b12-6-

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Potential Energy
Epot(MMFF94)=26.0155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.731 g/mol  logS: -6.26668  SlogP: 4.063  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.89608e-07  Sterimol/B1: 2.17574  Sterimol/B2: 2.19426  Sterimol/B3: 3.89688
  Sterimol/B4: 6.48982  Sterimol/L: 15.3524 
 
 Surface and Volume Properties
  Accessible surface: 495.882  Positive charged surface: 194.753  Negative charged surface: 301.128  Volume: 256.75
  Hydrophobic surface: 332.346  Hydrophilic surface: 163.536
 
 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.