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ACROSORGANICS-ZINC04241021

 MMsINC code: MMs00016788
Type: Neutral
Formula: C7H3ClF6N2O4S2
SMILES:   Clc1ccc(nc1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChI:   InChI=1/C7H3ClF6N2O4S2/c8-4-1-2-5(15-3-4)16(21(17,18)6(9,10)11)22(19,20)7(12,13)14/h1-3H

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Potential Energy
Epot(MMFF94)=80.8876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.684 g/mol  logS: -3.40527  SlogP: 3.0804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126757  Sterimol/B1: 3.48074  Sterimol/B2: 3.73204  Sterimol/B3: 3.90483
  Sterimol/B4: 6.1097  Sterimol/L: 11.7577 
 
 Surface and Volume Properties
  Accessible surface: 440.725  Positive charged surface: 90.1026  Negative charged surface: 350.623  Volume: 226.875
  Hydrophobic surface: 162.659  Hydrophilic surface: 278.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.