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NCID-ZINC04706575

 MMsINC code: MMs02395114
Type: Neutral
Formula: C11H21NO5S
SMILES:   SCCNC1C2OC(OCC2OC(OC)C1O)C
InChI:   InChI=1/C11H21NO5S/c1-6-15-5-7-10(16-6)8(12-3-4-18)9(13)11(14-2)17-7/h6-13,18H,3-5H2,1-2H3/t6-,7-,8-,9+,10-,11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.8347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.357 g/mol  logS: -1.10031  SlogP: -0.632  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.106824  Sterimol/B1: 2.31098  Sterimol/B2: 2.76633  Sterimol/B3: 3.7658
  Sterimol/B4: 10.1677  Sterimol/L: 13.5171 
 
 Surface and Volume Properties
  Accessible surface: 518.798  Positive charged surface: 408.54  Negative charged surface: 110.258  Volume: 253.5
  Hydrophobic surface: 368.797  Hydrophilic surface: 150.001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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


MMs02395115
NCID-ZINC04706575