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PUBCHEM-ZINC01177591

 MMsINC code: MMs02783769
Type: Neutral
Formula: C18H14ClNO4S2
SMILES:   Clc1cc(cc(OC)c1O)\C=C/1\SC(=S)N(C\1=O)c1ccc(OC)cc1
InChI:   InChI=1/C18H14ClNO4S2/c1-23-12-5-3-11(4-6-12)20-17(22)15(26-18(20)25)9-10-7-13(19)16(21)14(8-10)24-2/h3-9,21H,1-2H3/b15-9-

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Potential Energy
Epot(MMFF94)=130.841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.898 g/mol  logS: -6.53491  SlogP: 4.4686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042805  Sterimol/B1: 2.29794  Sterimol/B2: 3.69162  Sterimol/B3: 4.99149
  Sterimol/B4: 6.35031  Sterimol/L: 19.0543 
 
 Surface and Volume Properties
  Accessible surface: 629.045  Positive charged surface: 338.931  Negative charged surface: 290.114  Volume: 345
  Hydrophobic surface: 442.05  Hydrophilic surface: 186.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.