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APOLLO-ZINC00154347

 MMsINC code: MMs00044443
Type: Neutral
Formula: C14H19ClN2O2S
SMILES:   Clc1ccc(S(=O)(=O)N(C2CC2)C2CCNCC2)cc1
InChI:   InChI=1/C14H19ClN2O2S/c15-11-1-5-14(6-2-11)20(18,19)17(12-3-4-12)13-7-9-16-10-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2

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Potential Energy
Epot(MMFF94)=53.6595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.837 g/mol  logS: -2.90443  SlogP: 2.2451  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18968  Sterimol/B1: 2.92996  Sterimol/B2: 3.96141  Sterimol/B3: 4.01367
  Sterimol/B4: 7.19601  Sterimol/L: 13.6719 
 
 Surface and Volume Properties
  Accessible surface: 496.796  Positive charged surface: 286.562  Negative charged surface: 210.234  Volume: 282.25
  Hydrophobic surface: 391.915  Hydrophilic surface: 104.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00044444
APOLLO-ZINC00154347