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ENAMINE-ZINC02643971

 MMsINC code: MMs01270761
Type: Neutral
Formula: C15H20ClN3O4S
SMILES:   Clc1ccc(S(=O)(=O)N2CCN(CC2)C(=O)C(NC(=O)C)C)cc1
InChI:   InChI=1/C15H20ClN3O4S/c1-11(17-12(2)20)15(21)18-7-9-19(10-8-18)24(22,23)14-5-3-13(16)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,17,20)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=66.1456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.861 g/mol  logS: -2.75529  SlogP: 0.6975  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732571  Sterimol/B1: 2.9188  Sterimol/B2: 2.98467  Sterimol/B3: 5.42594
  Sterimol/B4: 5.83766  Sterimol/L: 18.3814 
 
 Surface and Volume Properties
  Accessible surface: 594.428  Positive charged surface: 320.465  Negative charged surface: 273.963  Volume: 322.5
  Hydrophobic surface: 444.074  Hydrophilic surface: 150.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.