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CHEMBRIDGE-ZINC01018553

 MMsINC code: MMs00652146
Type: Neutral
Formula: C18H17NO3S
SMILES:   S1\C(=C/c2oc(cc2)C)\C(=O)N(CCCc2ccccc2)C1=O
InChI:   InChI=1/C18H17NO3S/c1-13-9-10-15(22-13)12-16-17(20)19(18(21)23-16)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3/b16-12-

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Potential Energy
Epot(MMFF94)=26.9455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.404 g/mol  logS: -5.08077  SlogP: 4.25709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787899  Sterimol/B1: 2.99982  Sterimol/B2: 3.1874  Sterimol/B3: 5.36794
  Sterimol/B4: 5.77039  Sterimol/L: 17.579 
 
 Surface and Volume Properties
  Accessible surface: 595.027  Positive charged surface: 321.102  Negative charged surface: 273.925  Volume: 309.5
  Hydrophobic surface: 485.701  Hydrophilic surface: 109.326
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.