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NCID-ZINC01614955

MMsINC code: MMs02264729

Type: Neutral
Formula: C9H4Cl2F4OS
SMILES:   ClC(F)(F)C(=CC(=O)c1sccc1)C(Cl)(F)F
InChI:   InChI=1/C9H4Cl2F4OS/c10-8(12,13)7(9(11,14)15)4-5(16)6-2-1-3-17-6/h1-4H

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Potential Energy
Epot(MMFF94)=43.7453 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.094 g/mol  logS: -5.06103  SlogP: 5.3602  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0375735  Sterimol/B1: 2.83003  Sterimol/B2: 3.35876  Sterimol/B3: 3.99779
  Sterimol/B4: 4.15831  Sterimol/L: 13.0476 
 
 Surface and Volume Properties
  Accessible surface: 421.291  Positive charged surface: 77.7812  Negative charged surface: 343.51  Volume: 206.875
  Hydrophobic surface: 187.025  Hydrophilic surface: 234.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.