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CHEMDIV-ZINC00389370

 MMsINC code: MMs00849932
Type: Neutral
Formula: C18H16O4
SMILES:   o1c2c(cc(OCc3ccc(cc3)C)cc2)c(C(O)=O)c1C
InChI:   InChI=1/C18H16O4/c1-11-3-5-13(6-4-11)10-21-14-7-8-16-15(9-14)17(18(19)20)12(2)22-16/h3-9H,10H2,1-2H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.0459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.322 g/mol  logS: -5.4052  SlogP: 4.59324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.040376  Sterimol/B1: 3.56731  Sterimol/B2: 3.71798  Sterimol/B3: 4.03293
  Sterimol/B4: 5.97955  Sterimol/L: 17.8653 
 
 Surface and Volume Properties
  Accessible surface: 567.562  Positive charged surface: 309.608  Negative charged surface: 252.419  Volume: 287
  Hydrophobic surface: 457.908  Hydrophilic surface: 109.654
 
 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


MMs00849933
CHEMDIV-ZINC00389370