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NCID-ZINC01579883

 MMsINC code: MMs02237608
Type: Neutral
Formula: C14H26N2O5S
SMILES:   S(CCC(NC(OC(C)(C)C)=O)C(=O)NC(C(OC)=O)C)C
InChI:   InChI=1/C14H26N2O5S/c1-9(12(18)20-5)15-11(17)10(7-8-22-6)16-13(19)21-14(2,3)4/h9-10H,7-8H2,1-6H3,(H,15,17)(H,16,19)/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=55.4818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.437 g/mol  logS: -2.92316  SlogP: 1.3105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459022  Sterimol/B1: 2.3236  Sterimol/B2: 2.65958  Sterimol/B3: 4.15409
  Sterimol/B4: 9.22767  Sterimol/L: 17.7901 
 
 Surface and Volume Properties
  Accessible surface: 612.591  Positive charged surface: 422.819  Negative charged surface: 189.773  Volume: 320.25
  Hydrophobic surface: 403.285  Hydrophilic surface: 209.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.