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IBS-ZINC06669328

 MMsINC code: MMs01964654
Type: Neutral
Formula: C15H20N2O6S
SMILES:   s1c2c(CC(OC2)(C)C)c(C(O)=O)c1NC(=O)C(=O)NCCOC
InChI:   InChI=1/C15H20N2O6S/c1-15(2)6-8-9(7-23-15)24-13(10(8)14(20)21)17-12(19)11(18)16-4-5-22-3/h4-7H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)

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Potential Energy
Epot(MMFF94)=93.038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.399 g/mol  logS: -2.944  SlogP: 1.26507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0299378  Sterimol/B1: 2.76005  Sterimol/B2: 3.84293  Sterimol/B3: 3.96957
  Sterimol/B4: 5.63229  Sterimol/L: 18.8774 
 
 Surface and Volume Properties
  Accessible surface: 606.916  Positive charged surface: 418.355  Negative charged surface: 188.561  Volume: 314.375
  Hydrophobic surface: 365.101  Hydrophilic surface: 241.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01964655
IBS-ZINC06669328