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IFLAB-ZINC02692947

 MMsINC code: MMs01994210
Type: Neutral
Formula: C19H19NO2S
SMILES:   s1c2nc(cc(c2c(O)c1C(=O)c1c(cc(cc1C)C)C)C)C
InChI:   InChI=1/C19H19NO2S/c1-9-6-10(2)14(11(3)7-9)16(21)18-17(22)15-12(4)8-13(5)20-19(15)23-18/h6-8,22H,1-5H3

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Potential Energy
Epot(MMFF94)=96.6207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.432 g/mol  logS: -6.46452  SlogP: 4.775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126955  Sterimol/B1: 3.72549  Sterimol/B2: 4.34993  Sterimol/B3: 5.08651
  Sterimol/B4: 5.86071  Sterimol/L: 15.9501 
 
 Surface and Volume Properties
  Accessible surface: 564.075  Positive charged surface: 329.091  Negative charged surface: 229.933  Volume: 316.5
  Hydrophobic surface: 492.317  Hydrophilic surface: 71.758
 
 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.