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ENAMINE-ZINC03344852

 MMsINC code: MMs01385553
Type: Neutral
Formula: C14H23ClN2O2S
SMILES:   Clc1ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc1
InChI:   InChI=1/C14H23ClN2O2S/c1-11(2)17(12(3)4)10-9-16-20(18,19)14-7-5-13(15)6-8-14/h5-8,11-12,16H,9-10H2,1-4H3

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Potential Energy
Epot(MMFF94)=60.8145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.869 g/mol  logS: -3.16388  SlogP: 2.7371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113976  Sterimol/B1: 2.54343  Sterimol/B2: 3.18825  Sterimol/B3: 4.53582
  Sterimol/B4: 7.26017  Sterimol/L: 15.2492 
 
 Surface and Volume Properties
  Accessible surface: 542.383  Positive charged surface: 288.191  Negative charged surface: 254.192  Volume: 297.375
  Hydrophobic surface: 387.843  Hydrophilic surface: 154.54
 
 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


MMs01385554
ENAMINE-ZINC03344852