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ENAMINE-ZINC03158825

 MMsINC code: MMs01291604
Type: Neutral
Formula: C10H20N2O4S
SMILES:   S1(=O)(=O)CC(NCCCC)C(NCC(O)=O)C1
InChI:   InChI=1/C10H20N2O4S/c1-2-3-4-11-8-6-17(15,16)7-9(8)12-5-10(13)14/h8-9,11-12H,2-7H2,1H3,(H,13,14)/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=39.0144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.346 g/mol  logS: -0.42447  SlogP: -0.7841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0747412  Sterimol/B1: 3.1749  Sterimol/B2: 3.50204  Sterimol/B3: 4.63343
  Sterimol/B4: 7.15677  Sterimol/L: 13.8126 
 
 Surface and Volume Properties
  Accessible surface: 498.483  Positive charged surface: 326.72  Negative charged surface: 171.763  Volume: 240.75
  Hydrophobic surface: 275.95  Hydrophilic surface: 222.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.