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CHEMBRIDGE-ZINC00670949

 MMsINC code: MMs00639036
Type: Neutral
Formula: C19H13ClN2OS2
SMILES:   Clc1sc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NCc1sccc1
InChI:   InChI=1/C19H13ClN2OS2/c20-18-8-7-17(25-18)16-10-14(13-5-1-2-6-15(13)22-16)19(23)21-11-12-4-3-9-24-12/h1-10H,11H2,(H,21,23)

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Potential Energy
Epot(MMFF94)=67.8966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.911 g/mol  logS: -6.7574  SlogP: 5.8746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264206  Sterimol/B1: 2.56347  Sterimol/B2: 3.366  Sterimol/B3: 3.86951
  Sterimol/B4: 12.3711  Sterimol/L: 15.1719 
 
 Surface and Volume Properties
  Accessible surface: 625.235  Positive charged surface: 252.66  Negative charged surface: 367.039  Volume: 335.75
  Hydrophobic surface: 566.854  Hydrophilic surface: 58.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.