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ENAMINE-ZINC03179504

 MMsINC code: MMs01297090
Type: Neutral
Formula: C18H31ClN2O2S
SMILES:   Clc1ccc(S(=O)(=O)NC(CN(CCCC)CCCC)(C)C)cc1
InChI:   InChI=1/C18H31ClN2O2S/c1-5-7-13-21(14-8-6-2)15-18(3,4)20-24(22,23)17-11-9-16(19)10-12-17/h9-12,20H,5-8,13-15H2,1-4H3

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Potential Energy
Epot(MMFF94)=63.3543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.977 g/mol  logS: -4.59786  SlogP: 4.2991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205394  Sterimol/B1: 2.34607  Sterimol/B2: 4.08861  Sterimol/B3: 4.58969
  Sterimol/B4: 10.3834  Sterimol/L: 16.546 
 
 Surface and Volume Properties
  Accessible surface: 630.52  Positive charged surface: 380.317  Negative charged surface: 250.202  Volume: 368.75
  Hydrophobic surface: 498.951  Hydrophilic surface: 131.569
 
 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


MMs01297091
ENAMINE-ZINC03179504