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ENAMINE-ZINC03190977

 MMsINC code: MMs01301158
Type: Neutral
Formula: C14H16ClNO4S2
SMILES:   ClCCCCS(=O)(=O)NS(=O)(=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C14H16ClNO4S2/c15-10-3-4-11-21(17,18)16-22(19,20)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,16H,3-4,10-11H2

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Potential Energy
Epot(MMFF94)=-14.8716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.87 g/mol  logS: -4.77529  SlogP: 2.4669  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0671176  Sterimol/B1: 2.61228  Sterimol/B2: 3.39293  Sterimol/B3: 5.1755
  Sterimol/B4: 6.35079  Sterimol/L: 17.3636 
 
 Surface and Volume Properties
  Accessible surface: 562.473  Positive charged surface: 262.029  Negative charged surface: 290.36  Volume: 297
  Hydrophobic surface: 373.869  Hydrophilic surface: 188.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.