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ENAMINE-ZINC03296389

 MMsINC code: MMs01356118
Type: Neutral
Formula: C16H10ClF2NO3S
SMILES:   Clc1ccc(S(=O)(=O)\C(=C\c2ccc(OC(F)F)cc2)\C#N)cc1
InChI:   InChI=1/C16H10ClF2NO3S/c17-12-3-7-14(8-4-12)24(21,22)15(10-20)9-11-1-5-13(6-2-11)23-16(18)19/h1-9,16H/b15-9+

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Potential Energy
Epot(MMFF94)=80.9938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.775 g/mol  logS: -5.11075  SlogP: 4.69968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0825818  Sterimol/B1: 3.7453  Sterimol/B2: 4.21045  Sterimol/B3: 4.47108
  Sterimol/B4: 5.33728  Sterimol/L: 17.0552 
 
 Surface and Volume Properties
  Accessible surface: 554.275  Positive charged surface: 204.511  Negative charged surface: 349.764  Volume: 294.875
  Hydrophobic surface: 360.842  Hydrophilic surface: 193.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.