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ASINEX-ZINC00091137

 MMsINC code: MMs00073357
Type: Ionized
Formula: C10H12NO5S-
SMILES:   S(=O)(=O)(NC(C(=O)[O-])C)c1ccc(OC)cc1
InChI:   InChI=1/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/p-1/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=31.5269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.274 g/mol  logS: -1.85674  SlogP: -0.8881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121717  Sterimol/B1: 2.51483  Sterimol/B2: 2.7557  Sterimol/B3: 4.93484
  Sterimol/B4: 6.40271  Sterimol/L: 14.1545 
 
 Surface and Volume Properties
  Accessible surface: 445.294  Positive charged surface: 241.241  Negative charged surface: 204.053  Volume: 220.625
  Hydrophobic surface: 261.501  Hydrophilic surface: 183.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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Parent related molecule:


MMs00073356
ASINEX-ZINC00091137