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ASINEX-ZINC02923672

 MMsINC code: MMs00281274
Type: Neutral
Formula: C10H17Cl3N2O3S
SMILES:   ClC(Cl)(Cl)C(NC1CCS(=O)(=O)C1)NC(=O)CCC
InChI:   InChI=1/C10H17Cl3N2O3S/c1-2-3-8(16)15-9(10(11,12)13)14-7-4-5-19(17,18)6-7/h7,9,14H,2-6H2,1H3,(H,15,16)/t7-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=36.7296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.682 g/mol  logS: -3.00467  SlogP: 1.7956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0885913  Sterimol/B1: 3.31788  Sterimol/B2: 3.42235  Sterimol/B3: 3.90312
  Sterimol/B4: 7.44041  Sterimol/L: 13.4356 
 
 Surface and Volume Properties
  Accessible surface: 524.812  Positive charged surface: 231.777  Negative charged surface: 293.035  Volume: 279
  Hydrophobic surface: 238.944  Hydrophilic surface: 285.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.