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CHEMBRIDGE-ZINC01054673

 MMsINC code: MMs00654193
Type: Neutral
Formula: C19H18N2O2S2
SMILES:   s1c(C)c(C)c(C(=O)N)c1NC(=O)c1sc(-c2ccccc2)c(c1)C
InChI:   InChI=1/C19H18N2O2S2/c1-10-9-14(25-16(10)13-7-5-4-6-8-13)18(23)21-19-15(17(20)22)11(2)12(3)24-19/h4-9H,1-3H3,(H2,20,22)(H,21,23)

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Potential Energy
Epot(MMFF94)=78.1262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.497 g/mol  logS: -6.40818  SlogP: 4.75306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0220235  Sterimol/B1: 2.35676  Sterimol/B2: 2.42226  Sterimol/B3: 3.71631
  Sterimol/B4: 7.74669  Sterimol/L: 18.1766 
 
 Surface and Volume Properties
  Accessible surface: 624.076  Positive charged surface: 320.382  Negative charged surface: 303.694  Volume: 339.25
  Hydrophobic surface: 496.173  Hydrophilic surface: 127.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.