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ENAMINE-ZINC02631875

 MMsINC code: MMs01262868
Type: Neutral
Formula: C15H14Cl2N2OS
SMILES:   Clc1cc(Cl)cnc1NC(=O)CSc1cc(C)c(cc1)C
InChI:   InChI=1/C15H14Cl2N2OS/c1-9-3-4-12(5-10(9)2)21-8-14(20)19-15-13(17)6-11(16)7-18-15/h3-7H,8H2,1-2H3,(H,18,19,20)

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Potential Energy
Epot(MMFF94)=78.5449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.262 g/mol  logS: -5.87225  SlogP: 4.73604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00584828  Sterimol/B1: 2.37744  Sterimol/B2: 2.51203  Sterimol/B3: 3.6548
  Sterimol/B4: 5.31859  Sterimol/L: 18.799 
 
 Surface and Volume Properties
  Accessible surface: 574.214  Positive charged surface: 271.556  Negative charged surface: 302.658  Volume: 296.75
  Hydrophobic surface: 486.848  Hydrophilic surface: 87.366
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.