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NCID-ZINC01725447

 MMsINC code: MMs02349285
Type: Neutral
Formula: C19H16O2S
SMILES:   S(=O)(=O)(C1CC1c1ccccc1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C19H16O2S/c20-22(21,19-13-18(19)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19H,13H2/t18-,19-/m1/s1

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Potential Energy
Epot(MMFF94)=96.4857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.401 g/mol  logS: -5.45799  SlogP: 4.1696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888256  Sterimol/B1: 2.31276  Sterimol/B2: 3.95122  Sterimol/B3: 4.53572
  Sterimol/B4: 6.00708  Sterimol/L: 16.1291 
 
 Surface and Volume Properties
  Accessible surface: 526.985  Positive charged surface: 272.876  Negative charged surface: 244.94  Volume: 294.25
  Hydrophobic surface: 475.761  Hydrophilic surface: 51.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.