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CHEMBRIDGE-ZINC00433636

 MMsINC code: MMs00613558
Type: Neutral
Formula: C16H24N2O2S
SMILES:   s1c2CC(CCc2c(C(=O)N)c1NC(=O)C)C(CC)(C)C
InChI:   InChI=1/C16H24N2O2S/c1-5-16(3,4)10-6-7-11-12(8-10)21-15(18-9(2)19)13(11)14(17)20/h10H,5-8H2,1-4H3,(H2,17,20)(H,18,19)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=79.2636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.446 g/mol  logS: -5.47637  SlogP: 3.34644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602206  Sterimol/B1: 2.77571  Sterimol/B2: 2.90357  Sterimol/B3: 4.20983
  Sterimol/B4: 6.49154  Sterimol/L: 15.6319 
 
 Surface and Volume Properties
  Accessible surface: 538.663  Positive charged surface: 349.206  Negative charged surface: 189.457  Volume: 300.875
  Hydrophobic surface: 347.929  Hydrophilic surface: 190.734
 
 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.