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PUBCHEM-ZINC05920456

 MMsINC code: MMs03443770
Type: Neutral
Formula: C15H14Cl2N2O4S
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)NNS(=O)(=O)c1ccccc1)C
InChI:   InChI=1/C15H14Cl2N2O4S/c1-10(23-14-8-7-11(16)9-13(14)17)15(20)18-19-24(21,22)12-5-3-2-4-6-12/h2-10,19H,1H3,(H,18,20)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=108.842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.259 g/mol  logS: -5.4305  SlogP: 2.7704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0550114  Sterimol/B1: 2.31814  Sterimol/B2: 4.16806  Sterimol/B3: 4.82146
  Sterimol/B4: 5.0804  Sterimol/L: 17.3201 
 
 Surface and Volume Properties
  Accessible surface: 592.247  Positive charged surface: 235.133  Negative charged surface: 357.114  Volume: 316.5
  Hydrophobic surface: 443.662  Hydrophilic surface: 148.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.