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ASINEX-ZINC00029516

 MMsINC code: MMs00059820
Type: Neutral
Formula: C10H13NO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(OCC)=O)C
InChI:   InChI=1/C10H13NO4S/c1-3-15-10(12)8-4-6-9(7-5-8)11-16(2,13)14/h4-7,11H,3H2,1-2H3

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Potential Energy
Epot(MMFF94)=29.0789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.283 g/mol  logS: -1.9318  SlogP: 1.2348  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0634485  Sterimol/B1: 2.99864  Sterimol/B2: 3.38015  Sterimol/B3: 3.61124
  Sterimol/B4: 4.97342  Sterimol/L: 15.1061 
 
 Surface and Volume Properties
  Accessible surface: 456.756  Positive charged surface: 270.21  Negative charged surface: 186.545  Volume: 213.75
  Hydrophobic surface: 302.566  Hydrophilic surface: 154.19
 
 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: no related molecules available.