MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02486146

Type: Neutral
Formula: C₂₂H₂₀O₄

SMILES:

O(C)c1ccc(cc1)C(c1ccccc1C(O)=O)c1ccc(OC)cc1

InChI:

InChI=1/C22H20O4/c1-25-17-11-7-15(8-12-17)21(16-9-13-18(26-2)14-10-16)19-5-3-4-6-20(19)22(23)24/h3-14,21H,1-2H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.302 kcal/mol

Physical Properties
Molecular Weight: 348.398 g/mol	logS: -5.21388	SlogP: 4.5822	Reactive groups: 0

Topological Properties
Globularity: 0.206866	Sterimol/B1: 3.38957	Sterimol/B2: 4.14555	Sterimol/B3: 4.6799
Sterimol/B4: 8.2829	Sterimol/L: 15.2961

Surface and Volume Properties
Accessible surface: 594.866	Positive charged surface: 404.165	Negative charged surface: 190.701	Volume: 339.25
Hydrophobic surface: 500.461	Hydrophilic surface: 94.405

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02486147
NCID-ZINC05699204