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NCID-ZINC05438357

 MMsINC code: MMs02462475
Type: Neutral
Formula: C11H11NO3S
SMILES:   S(=O)(C)C=1C(=O)N(c2c(cccc2)C=1O)C
InChI:   InChI=1/C11H11NO3S/c1-12-8-6-4-3-5-7(8)9(13)10(11(12)14)16(2)15/h3-6,13H,1-2H3/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=64.1644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.279 g/mol  logS: -2.10948  SlogP: 1.2681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0643677  Sterimol/B1: 2.05424  Sterimol/B2: 3.29546  Sterimol/B3: 3.41031
  Sterimol/B4: 7.22537  Sterimol/L: 12.5156 
 
 Surface and Volume Properties
  Accessible surface: 407.338  Positive charged surface: 254.107  Negative charged surface: 153.232  Volume: 208
  Hydrophobic surface: 304.878  Hydrophilic surface: 102.46
 
 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.