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NCID-ZINC01618715

 MMsINC code: MMs02267402
Type: Neutral
Formula: C14H22ClN3O3S
SMILES:   Clc1ccc(S(=O)(=O)N(CCN(C)C)C(=O)NCCC)cc1
InChI:   InChI=1/C14H22ClN3O3S/c1-4-9-16-14(19)18(11-10-17(2)3)22(20,21)13-7-5-12(15)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,16,19)

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Potential Energy
Epot(MMFF94)=6.71436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.867 g/mol  logS: -2.70645  SlogP: 2.0119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120235  Sterimol/B1: 2.37308  Sterimol/B2: 3.32255  Sterimol/B3: 5.17956
  Sterimol/B4: 9.73314  Sterimol/L: 15.1178 
 
 Surface and Volume Properties
  Accessible surface: 588.403  Positive charged surface: 372.899  Negative charged surface: 215.503  Volume: 315.25
  Hydrophobic surface: 491.137  Hydrophilic surface: 97.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs02267403
NCID-ZINC01618715