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CHEMBRIDGE-ZINC00996191

 MMsINC code: MMs00651070
Type: Neutral
Formula: C19H24N2O2S2
SMILES:   s1c2CC(CCc2c(C(=O)N)c1NC(=O)c1sccc1)C(CC)(C)C
InChI:   InChI=1/C19H24N2O2S2/c1-4-19(2,3)11-7-8-12-14(10-11)25-18(15(12)16(20)22)21-17(23)13-6-5-9-24-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H2,20,22)(H,21,23)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=88.4292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.545 g/mol  logS: -7.04358  SlogP: 4.70184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0354783  Sterimol/B1: 2.50727  Sterimol/B2: 3.03061  Sterimol/B3: 3.77482
  Sterimol/B4: 7.70548  Sterimol/L: 18.6225 
 
 Surface and Volume Properties
  Accessible surface: 614.944  Positive charged surface: 348.96  Negative charged surface: 265.984  Volume: 350.25
  Hydrophobic surface: 432.245  Hydrophilic surface: 182.699
 
 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.