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PUBCHEM-ZINC06425685

 MMsINC code: MMs03725188
Type: Neutral
Formula: C19H16O3S
SMILES:   S(C=1C(OC(=CC=1O)c1ccccc1)=O)c1ccccc1CC
InChI:   InChI=1/C19H16O3S/c1-2-13-8-6-7-11-17(13)23-18-15(20)12-16(22-19(18)21)14-9-4-3-5-10-14/h3-12,20H,2H2,1H3

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Potential Energy
Epot(MMFF94)=101.979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.4 g/mol  logS: -6.54391  SlogP: 4.70857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544518  Sterimol/B1: 2.80328  Sterimol/B2: 3.40798  Sterimol/B3: 3.69696
  Sterimol/B4: 6.45464  Sterimol/L: 16.526 
 
 Surface and Volume Properties
  Accessible surface: 560.795  Positive charged surface: 302.945  Negative charged surface: 257.85  Volume: 306.5
  Hydrophobic surface: 435.635  Hydrophilic surface: 125.16
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.