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ASINEX-ZINC00253030

 MMsINC code: MMs00100122
Type: Neutral
Formula: C15H22N2O2S
SMILES:   s1c2CC(CCc2c(C(=O)N)c1NC(=O)C)C(C)(C)C
InChI:   InChI=1/C15H22N2O2S/c1-8(18)17-14-12(13(16)19)10-6-5-9(15(2,3)4)7-11(10)20-14/h9H,5-7H2,1-4H3,(H2,16,19)(H,17,18)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=71.263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.419 g/mol  logS: -4.96115  SlogP: 2.95634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652609  Sterimol/B1: 2.67396  Sterimol/B2: 3.45525  Sterimol/B3: 3.59296
  Sterimol/B4: 6.72487  Sterimol/L: 15.2141 
 
 Surface and Volume Properties
  Accessible surface: 521.77  Positive charged surface: 338.498  Negative charged surface: 183.272  Volume: 284.375
  Hydrophobic surface: 330.998  Hydrophilic surface: 190.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.