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PUBCHEM-ZINC00389159

MMsINC code: MMs02671292

Type: Neutral
Formula: C15H14O3S
SMILES:   S(Cc1ccccc1C(O)=O)c1ccc(OC)cc1
InChI:   InChI=1/C15H14O3S/c1-18-12-6-8-13(9-7-12)19-10-11-4-2-3-5-14(11)15(16)17/h2-9H,10H2,1H3,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=72.7706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.34 g/mol  logS: -4.19396  SlogP: 3.9521  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0824732  Sterimol/B1: 2.12245  Sterimol/B2: 4.14029  Sterimol/B3: 5.35132
  Sterimol/B4: 5.62992  Sterimol/L: 16.3103 
 
 Surface and Volume Properties
  Accessible surface: 502.908  Positive charged surface: 305.69  Negative charged surface: 197.219  Volume: 257.125
  Hydrophobic surface: 384.953  Hydrophilic surface: 117.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02671293
PUBCHEM-ZINC00389159