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ASINEX-ZINC00350270

 MMsINC code: MMs00122446
Type: Neutral
Formula: C10H11ClN4O2S
SMILES:   Clc1ccc(cc1)-c1nc(n(S(=O)(=O)CC)n1)N
InChI:   InChI=1/C10H11ClN4O2S/c1-2-18(16,17)15-10(12)13-9(14-15)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=63.4351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.743 g/mol  logS: -4.17026  SlogP: 1.3785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0385293  Sterimol/B1: 2.44852  Sterimol/B2: 2.87117  Sterimol/B3: 4.05315
  Sterimol/B4: 6.11975  Sterimol/L: 15.7036 
 
 Surface and Volume Properties
  Accessible surface: 478.505  Positive charged surface: 236.668  Negative charged surface: 241.836  Volume: 236
  Hydrophobic surface: 305.309  Hydrophilic surface: 173.196
 
 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.