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ASINEX-ZINC00076477

 MMsINC code: MMs00070207
Type: Neutral
Formula: C18H28N2O2S
SMILES:   s1c2CC(CCc2c(C(=O)N)c1NC(=O)C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C18H28N2O2S/c1-17(2,3)10-7-8-11-12(9-10)23-15(13(11)14(19)21)20-16(22)18(4,5)6/h10H,7-9H2,1-6H3,(H2,19,21)(H,20,22)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=84.4144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.5 g/mol  logS: -5.56646  SlogP: 3.98254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0571121  Sterimol/B1: 2.10228  Sterimol/B2: 3.53383  Sterimol/B3: 5.09587
  Sterimol/B4: 6.42621  Sterimol/L: 16.5741 
 
 Surface and Volume Properties
  Accessible surface: 589.053  Positive charged surface: 387.029  Negative charged surface: 202.024  Volume: 334.25
  Hydrophobic surface: 374.552  Hydrophilic surface: 214.501
 
 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.