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ENAMINE-ZINC03576262

 MMsINC code: MMs01515929
Type: Neutral
Formula: C19H18N2O2S
SMILES:   S(=O)(=O)(N\N=C\c1cc2c(cc1)cccc2)c1cc(ccc1C)C
InChI:   InChI=1/C19H18N2O2S/c1-14-7-8-15(2)19(11-14)24(22,23)21-20-13-16-9-10-17-5-3-4-6-18(17)12-16/h3-13,21H,1-2H3/b20-13+

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Potential Energy
Epot(MMFF94)=106.201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.431 g/mol  logS: -6.02491  SlogP: 3.76904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0828288  Sterimol/B1: 2.12994  Sterimol/B2: 4.39266  Sterimol/B3: 4.57719
  Sterimol/B4: 7.77471  Sterimol/L: 15.6941 
 
 Surface and Volume Properties
  Accessible surface: 587.891  Positive charged surface: 309.972  Negative charged surface: 268.747  Volume: 319.375
  Hydrophobic surface: 491.826  Hydrophilic surface: 96.065
 
 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.