MMsINC Database Search


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

MMsINC code: MMs01794751

Type: Neutral
Formula: C₂₄H₂₀O₄

SMILES:

O1c2c(C(=O)C=C1c1ccccc1)c(O)cc(OCc1cc(ccc1C)C)c2

InChI:

InChI=1/C24H20O4/c1-15-8-9-16(2)18(10-15)14-27-19-11-20(25)24-21(26)13-22(28-23(24)12-19)17-6-4-3-5-7-17/h3-13,25H,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.306 kcal/mol

Physical Properties
Molecular Weight: 372.42 g/mol	logS: -6.95266	SlogP: 5.47064	Reactive groups: 1

Topological Properties
Globularity: 0.00465653	Sterimol/B1: 1.969	Sterimol/B2: 2.41367	Sterimol/B3: 2.50704
Sterimol/B4: 9.44316	Sterimol/L: 19.2589

Surface and Volume Properties
Accessible surface: 651.758	Positive charged surface: 369.161	Negative charged surface: 282.598	Volume: 360.875
Hydrophobic surface: 568.674	Hydrophilic surface: 83.084

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.