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CHEMBLOCK-ZINC04722277

 MMsINC code: MMs00573671
Type: Neutral
Formula: C17H25ClN2O2S
SMILES:   Clc1ccc(S(=O)(=O)NC2(CCCCC2)CN2CCCC2)cc1
InChI:   InChI=1/C17H25ClN2O2S/c18-15-6-8-16(9-7-15)23(21,22)19-17(10-2-1-3-11-17)14-20-12-4-5-13-20/h6-9,19H,1-5,10-14H2

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Potential Energy
Epot(MMFF94)=85.9983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.918 g/mol  logS: -3.87856  SlogP: 3.417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191743  Sterimol/B1: 3.20129  Sterimol/B2: 3.3365  Sterimol/B3: 4.99989
  Sterimol/B4: 7.49722  Sterimol/L: 13.7765 
 
 Surface and Volume Properties
  Accessible surface: 529.963  Positive charged surface: 324.696  Negative charged surface: 205.267  Volume: 326.875
  Hydrophobic surface: 466.466  Hydrophilic surface: 63.497
 
 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


MMs00573672
CHEMBLOCK-ZINC04722277