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ENAMINE-ZINC05523821

 MMsINC code: MMs01619916
Type: Neutral
Formula: C16H25ClN2O2S
SMILES:   Clc1ccc(S(=O)(=O)NC(CN2CCCCCC2)(C)C)cc1
InChI:   InChI=1/C16H25ClN2O2S/c1-16(2,13-19-11-5-3-4-6-12-19)18-22(20,21)15-9-7-14(17)8-10-15/h7-10,18H,3-6,11-13H2,1-2H3

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Potential Energy
Epot(MMFF94)=133.25 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.907 g/mol  logS: -3.46538  SlogP: 3.2729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114989  Sterimol/B1: 2.39045  Sterimol/B2: 3.57245  Sterimol/B3: 4.39216
  Sterimol/B4: 5.88764  Sterimol/L: 16.4241 
 
 Surface and Volume Properties
  Accessible surface: 529.318  Positive charged surface: 308.938  Negative charged surface: 220.38  Volume: 314.75
  Hydrophobic surface: 450.998  Hydrophilic surface: 78.32
 
 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


MMs01619917
ENAMINE-ZINC05523821