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ASINEX-ZINC02477830

 MMsINC code: MMs00272542
Type: Neutral
Formula: C8H11NO5S
SMILES:   S(=O)(=O)(N)c1oc(cc1)C(OCCC)=O
InChI:   InChI=1/C8H11NO5S/c1-2-5-13-8(10)6-3-4-7(14-6)15(9,11)12/h3-4H,2,5H2,1H3,(H2,9,11,12)

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Potential Energy
Epot(MMFF94)=13.1469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.244 g/mol  logS: -2.58503  SlogP: 0.4938  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0377411  Sterimol/B1: 2.90454  Sterimol/B2: 3.17391  Sterimol/B3: 3.26232
  Sterimol/B4: 5.26928  Sterimol/L: 14.1193 
 
 Surface and Volume Properties
  Accessible surface: 442.507  Positive charged surface: 256.787  Negative charged surface: 185.72  Volume: 191.25
  Hydrophobic surface: 226.377  Hydrophilic surface: 216.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00272543
ASINEX-ZINC02477830