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ASINEX-ZINC00801473

 MMsINC code: MMs00170385
Type: Neutral
Formula: C15H22N2O2S
SMILES:   s1c2CC(CCc2c(C(=O)N)c1NC(=O)C(C)(C)C)C
InChI:   InChI=1/C15H22N2O2S/c1-8-5-6-9-10(7-8)20-13(11(9)12(16)18)17-14(19)15(2,3)4/h8H,5-7H2,1-4H3,(H2,16,18)(H,17,19)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=54.2364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.419 g/mol  logS: -4.0208  SlogP: 2.95634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.056624  Sterimol/B1: 2.62985  Sterimol/B2: 3.57458  Sterimol/B3: 3.62276
  Sterimol/B4: 6.92907  Sterimol/L: 15.4298 
 
 Surface and Volume Properties
  Accessible surface: 537.366  Positive charged surface: 362.5  Negative charged surface: 174.866  Volume: 285.5
  Hydrophobic surface: 349.745  Hydrophilic surface: 187.621
 
 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.