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PUBCHEM-ZINC05498503

 MMsINC code: MMs03287464
Type: Neutral
Formula: C17H25N3O2S2
SMILES:   s1cnnc1NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
InChI:   InChI=1/C17H25N3O2S2/c1-10(2)13-7-14(11(3)4)16(15(8-13)12(5)6)24(21,22)20-17-19-18-9-23-17/h7-12H,1-6H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=87.8158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.538 g/mol  logS: -6.87111  SlogP: 4.7091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.399626  Sterimol/B1: 4.30659  Sterimol/B2: 4.96773  Sterimol/B3: 5.45211
  Sterimol/B4: 6.90668  Sterimol/L: 13.2213 
 
 Surface and Volume Properties
  Accessible surface: 579.237  Positive charged surface: 362.429  Negative charged surface: 216.808  Volume: 341.5
  Hydrophobic surface: 357.728  Hydrophilic surface: 221.509
 
 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: no related molecules available.