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ENAMINE-ZINC02646443

 MMsINC code: MMs01272486
Type: Neutral
Formula: C14H14Cl2N2O4S2
SMILES:   Clc1c(S(=O)(=O)NCCc2ccc(S(=O)(=O)N)cc2)cccc1Cl
InChI:   InChI=1/C14H14Cl2N2O4S2/c15-12-2-1-3-13(14(12)16)24(21,22)18-9-8-10-4-6-11(7-5-10)23(17,19)20/h1-7,18H,8-9H2,(H2,17,19,20)

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Potential Energy
Epot(MMFF94)=40.5968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.314 g/mol  logS: -4.74742  SlogP: 2.16177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0624543  Sterimol/B1: 3.13328  Sterimol/B2: 4.23958  Sterimol/B3: 4.24243
  Sterimol/B4: 5.82955  Sterimol/L: 16.8554 
 
 Surface and Volume Properties
  Accessible surface: 587.793  Positive charged surface: 244.789  Negative charged surface: 343.005  Volume: 314.375
  Hydrophobic surface: 371.239  Hydrophilic surface: 216.554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01272487
ENAMINE-ZINC02646443