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ENAMINE-ZINC06602676

 MMsINC code: MMs01683880
Type: Neutral
Formula: C14H12ClN3O3S2
SMILES:   Clc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1sccc1C#N
InChI:   InChI=1/C14H12ClN3O3S2/c1-18(2)23(20,21)10-3-4-12(15)11(7-10)13(19)17-14-9(8-16)5-6-22-14/h3-7H,1-2H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=67.0365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.853 g/mol  logS: -4.31866  SlogP: 2.77578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0489691  Sterimol/B1: 2.62331  Sterimol/B2: 2.87241  Sterimol/B3: 4.40936
  Sterimol/B4: 8.65808  Sterimol/L: 15.6263 
 
 Surface and Volume Properties
  Accessible surface: 562.267  Positive charged surface: 282.237  Negative charged surface: 280.03  Volume: 301.625
  Hydrophobic surface: 410.202  Hydrophilic surface: 152.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.