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MAYBRIDGE-ZINC04321698

 MMsINC code: MMs02165249
Type: Neutral
Formula: C10H16N2O5S
SMILES:   S1(=O)(=O)CC2NC(=O)NC2C1CCCCC(O)=O
InChI:   InChI=1/C10H16N2O5S/c13-8(14)4-2-1-3-7-9-6(5-18(7,16)17)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=7.84244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.313 g/mol  logS: -0.49625  SlogP: -0.5216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774006  Sterimol/B1: 2.94142  Sterimol/B2: 3.43923  Sterimol/B3: 3.85373
  Sterimol/B4: 6.07154  Sterimol/L: 14.4853 
 
 Surface and Volume Properties
  Accessible surface: 460.675  Positive charged surface: 294.297  Negative charged surface: 166.378  Volume: 228.75
  Hydrophobic surface: 206.375  Hydrophilic surface: 254.3
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02165250
MAYBRIDGE-ZINC04321698