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ACROSORGANICS-ZINC02242749

 MMsINC code: MMs00013270
Type: Neutral
Formula: C10H9NO3S
SMILES:   S(=O)(=O)(N)c1c2c(ccc1)c(O)ccc2
InChI:   InChI=1/C10H9NO3S/c11-15(13,14)10-6-2-3-7-8(10)4-1-5-9(7)12/h1-6,12H,(H2,11,13,14)

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Potential Energy
Epot(MMFF94)=26.0207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.252 g/mol  logS: -3.12742  SlogP: 1.1928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.062786  Sterimol/B1: 2.56083  Sterimol/B2: 3.02566  Sterimol/B3: 3.24095
  Sterimol/B4: 7.45958  Sterimol/L: 10.8919 
 
 Surface and Volume Properties
  Accessible surface: 383.769  Positive charged surface: 189.755  Negative charged surface: 184.328  Volume: 185.125
  Hydrophobic surface: 216.295  Hydrophilic surface: 167.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00013271
ACROSORGANICS-ZINC02242749