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PUBCHEM-ZINC01416334

 MMsINC code: MMs02803637
Type: Neutral
Formula: C19H16ClNO3S2
SMILES:   Clc1cc(cc(OC)c1O)\C=C/1\SC(=S)N(C\1=O)c1cc(C)c(cc1)C
InChI:   InChI=1/C19H16ClNO3S2/c1-10-4-5-13(6-11(10)2)21-18(23)16(26-19(21)25)9-12-7-14(20)17(22)15(8-12)24-3/h4-9,22H,1-3H3/b16-9-

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Potential Energy
Epot(MMFF94)=130.25 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.926 g/mol  logS: -7.43237  SlogP: 5.07684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.056364  Sterimol/B1: 3.67552  Sterimol/B2: 3.91384  Sterimol/B3: 4.71144
  Sterimol/B4: 6.42239  Sterimol/L: 18.0717 
 
 Surface and Volume Properties
  Accessible surface: 636.727  Positive charged surface: 326.914  Negative charged surface: 309.813  Volume: 350
  Hydrophobic surface: 459.193  Hydrophilic surface: 177.534
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.