MMsINC Database Search


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

MMsINC code: MMs01780687

Type: Neutral
Formula: C₂₄H₁₈O₃

SMILES:

o1c2c(cc(cc2)C(=O)\C=C\C=C\c2ccc(OC)cc2)c2c1cccc2

InChI:

InChI=1/C24H18O3/c1-26-19-13-10-17(11-14-19)6-2-4-8-22(25)18-12-15-24-21(16-18)20-7-3-5-9-23(20)27-24/h2-16H,1H3/b6-2+,8-4+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.041 kcal/mol

Physical Properties
Molecular Weight: 354.405 g/mol	logS: -8.43862	SlogP: 6.0469	Reactive groups: 1

Topological Properties
Globularity: 0.000977112	Sterimol/B1: 2.37444	Sterimol/B2: 2.37595	Sterimol/B3: 2.6777
Sterimol/B4: 6.41444	Sterimol/L: 22.9025

Surface and Volume Properties
Accessible surface: 657.921	Positive charged surface: 357.954	Negative charged surface: 287.487	Volume: 352.75
Hydrophobic surface: 600.364	Hydrophilic surface: 57.557

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.