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CHEMDIV-ZINC07006246

 MMsINC code: MMs01071351
Type: Neutral
Formula: C15H16N2O3S2
SMILES:   s1cc(S(=O)(=O)N2CC(CC2)c2ccccc2)cc1C(=O)N
InChI:   InChI=1/C15H16N2O3S2/c16-15(18)14-8-13(10-21-14)22(19,20)17-7-6-12(9-17)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H2,16,18)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=41.3974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.436 g/mol  logS: -3.41177  SlogP: 2.0252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0927004  Sterimol/B1: 2.37133  Sterimol/B2: 3.20329  Sterimol/B3: 4.41873
  Sterimol/B4: 7.60575  Sterimol/L: 15.2427 
 
 Surface and Volume Properties
  Accessible surface: 549.753  Positive charged surface: 288.066  Negative charged surface: 261.687  Volume: 291.125
  Hydrophobic surface: 383.633  Hydrophilic surface: 166.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.