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CHEMDIV-ZINC00262562

 MMsINC code: MMs00847776
Type: Neutral
Formula: C14H27N3O4S
SMILES:   S(=O)(=O)(N1CCC(CC1)C(=O)NCCN1CCOCC1)CC
InChI:   InChI=1/C14H27N3O4S/c1-2-22(19,20)17-6-3-13(4-7-17)14(18)15-5-8-16-9-11-21-12-10-16/h13H,2-12H2,1H3,(H,15,18)

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Potential Energy
Epot(MMFF94)=39.4686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.453 g/mol  logS: -0.47259  SlogP: -0.5035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607873  Sterimol/B1: 2.12684  Sterimol/B2: 2.38621  Sterimol/B3: 5.45359
  Sterimol/B4: 5.86862  Sterimol/L: 18.1041 
 
 Surface and Volume Properties
  Accessible surface: 584.456  Positive charged surface: 455.041  Negative charged surface: 129.416  Volume: 312.625
  Hydrophobic surface: 450.76  Hydrophilic surface: 133.696
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs00847777
CHEMDIV-ZINC00262562