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PUBCHEM-ZINC00997809

 MMsINC code: MMs02752732
Type: Neutral
Formula: C19H30N2O2S
SMILES:   s1c2CC(CCc2c(C(=O)N)c1NC(=O)C(C)(C)C)C(CC)(C)C
InChI:   InChI=1/C19H30N2O2S/c1-7-19(5,6)11-8-9-12-13(10-11)24-16(14(12)15(20)22)21-17(23)18(2,3)4/h11H,7-10H2,1-6H3,(H2,20,22)(H,21,23)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=92.2779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.527 g/mol  logS: -6.08168  SlogP: 4.37264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0543338  Sterimol/B1: 2.39743  Sterimol/B2: 2.97569  Sterimol/B3: 4.27005
  Sterimol/B4: 7.57938  Sterimol/L: 16.826 
 
 Surface and Volume Properties
  Accessible surface: 608.099  Positive charged surface: 403.429  Negative charged surface: 204.669  Volume: 353
  Hydrophobic surface: 394.194  Hydrophilic surface: 213.905
 
 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.