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ENAMINE-ZINC03304950

 MMsINC code: MMs01360554
Type: Neutral
Formula: C15H13Cl3N2O2S
SMILES:   Clc1c2c(sc1C(=O)N1CCC(CC1)C(=O)N)cc(Cl)cc2Cl
InChI:   InChI=1/C15H13Cl3N2O2S/c16-8-5-9(17)11-10(6-8)23-13(12(11)18)15(22)20-3-1-7(2-4-20)14(19)21/h5-7H,1-4H2,(H2,19,21)

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Potential Energy
Epot(MMFF94)=58.5187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.706 g/mol  logS: -5.86866  SlogP: 4.199  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0837332  Sterimol/B1: 2.76945  Sterimol/B2: 3.06689  Sterimol/B3: 5.3742
  Sterimol/B4: 6.00724  Sterimol/L: 15.7855 
 
 Surface and Volume Properties
  Accessible surface: 555.899  Positive charged surface: 248.756  Negative charged surface: 302.246  Volume: 308.75
  Hydrophobic surface: 430.491  Hydrophilic surface: 125.408
 
 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.