MMsINC Database Search


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

MMsINC code: MMs01874850

Type: Neutral
Formula: C₂₄H₁₈O₃

SMILES:

O1c2c(cccc2)C(O)(c2c1cccc2)c1c2c(cccc2)c(OC)cc1

InChI:

InChI=1/C24H18O3/c1-26-21-15-14-18(16-8-2-3-9-17(16)21)24(25)19-10-4-6-12-22(19)27-23-13-7-5-11-20(23)24/h2-15,25H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=203.789 kcal/mol

Physical Properties
Molecular Weight: 354.405 g/mol	logS: -7.16891	SlogP: 5.5498	Reactive groups: 0

Topological Properties
Globularity: 0.380004	Sterimol/B1: 3.97973	Sterimol/B2: 5.97534	Sterimol/B3: 6.06978
Sterimol/B4: 6.12332	Sterimol/L: 13.2758

Surface and Volume Properties
Accessible surface: 573.699	Positive charged surface: 356.207	Negative charged surface: 208.49	Volume: 338.25
Hydrophobic surface: 542.319	Hydrophilic surface: 31.38

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: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.