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MAYBRIDGE-ZINC04321698

 MMsINC code: MMs02165250
Type: Ionized
Formula: C10H15N2O5S-
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)/p-1/t6-,7-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=-1.16648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.305 g/mol  logS: -0.7567  SlogP: -1.8563  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0688017  Sterimol/B1: 2.92168  Sterimol/B2: 3.54697  Sterimol/B3: 3.68487
  Sterimol/B4: 5.96542  Sterimol/L: 14.8925 
 
 Surface and Volume Properties
  Accessible surface: 460.695  Positive charged surface: 274.685  Negative charged surface: 186.01  Volume: 228.625
  Hydrophobic surface: 200.886  Hydrophilic surface: 259.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs02165249
MAYBRIDGE-ZINC04321698