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PUBCHEM-ZINC05298304

 MMsINC code: MMs03235260
Type: Neutral
Formula: C10H19NO5S
SMILES:   S=C(OCCCC)NC1OCC(O)C(O)C1O
InChI:   InChI=1/C10H19NO5S/c1-2-3-4-15-10(17)11-9-8(14)7(13)6(12)5-16-9/h6-9,12-14H,2-5H2,1H3,(H,11,17)/t6-,7-,8+,9+/m1/s1

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Potential Energy
Epot(MMFF94)=60.8214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.33 g/mol  logS: -1.68368  SlogP: -0.8834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0447668  Sterimol/B1: 2.9524  Sterimol/B2: 3.9181  Sterimol/B3: 4.21469
  Sterimol/B4: 4.45266  Sterimol/L: 16.3878 
 
 Surface and Volume Properties
  Accessible surface: 493.819  Positive charged surface: 347.209  Negative charged surface: 146.61  Volume: 238.875
  Hydrophobic surface: 253.263  Hydrophilic surface: 240.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.