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CHEMDIV-ZINC06894317

 MMsINC code: MMs01055909
Type: Neutral
Formula: C15H23N3O4S2
SMILES:   s1cccc1CNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChI:   InChI=1/C15H23N3O4S2/c19-15(16-11-14-4-2-10-23-14)13-3-1-5-18(12-13)24(20,21)17-6-8-22-9-7-17/h2,4,10,13H,1,3,5-9,11-12H2,(H,16,19)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=8.51663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.498 g/mol  logS: -1.59493  SlogP: 0.9197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0404514  Sterimol/B1: 2.82737  Sterimol/B2: 4.09161  Sterimol/B3: 4.38365
  Sterimol/B4: 5.55363  Sterimol/L: 18.9439 
 
 Surface and Volume Properties
  Accessible surface: 609.465  Positive charged surface: 406.249  Negative charged surface: 203.216  Volume: 329.875
  Hydrophobic surface: 502.414  Hydrophilic surface: 107.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.