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NCID-ZINC01626951

 MMsINC code: MMs02273276
Type: Neutral
Formula: C14H28N2O4S2
SMILES:   S(SCC(N)C(OC(C)(C)C)=O)CC(N)C(OC(C)(C)C)=O
InChI:   InChI=1/C14H28N2O4S2/c1-13(2,3)19-11(17)9(15)7-21-22-8-10(16)12(18)20-14(4,5)6/h9-10H,7-8,15-16H2,1-6H3/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=98.1381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.52 g/mol  logS: -3.84854  SlogP: 1.7058  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0878092  Sterimol/B1: 2.58291  Sterimol/B2: 3.04717  Sterimol/B3: 4.92378
  Sterimol/B4: 7.10006  Sterimol/L: 16.6349 
 
 Surface and Volume Properties
  Accessible surface: 643.732  Positive charged surface: 419.663  Negative charged surface: 224.07  Volume: 340.5
  Hydrophobic surface: 340.16  Hydrophilic surface: 303.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.