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CHEMBRIDGE-ZINC00567829

 MMsINC code: MMs00632397
Type: Neutral
Formula: C17H24N2O2S
SMILES:   s1c2CC(CCc2c(C(=O)N)c1NC(=O)C1CCCCC1)C
InChI:   InChI=1/C17H24N2O2S/c1-10-7-8-12-13(9-10)22-17(14(12)15(18)20)19-16(21)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H2,18,20)(H,19,21)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=47.5843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.457 g/mol  logS: -5.26265  SlogP: 3.49054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412592  Sterimol/B1: 2.45109  Sterimol/B2: 2.90738  Sterimol/B3: 3.42477
  Sterimol/B4: 7.21883  Sterimol/L: 17.3272 
 
 Surface and Volume Properties
  Accessible surface: 574.195  Positive charged surface: 413.41  Negative charged surface: 160.785  Volume: 309.125
  Hydrophobic surface: 430.264  Hydrophilic surface: 143.931
 
 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.