MMsINC Database Search


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

MMsINC code: MMs02400051

Type: Neutral
Formula: C₂₆H₁₈O₄

SMILES:

O1C(c2c(cccc2)C1=O)(c1ccc(Oc2ccccc2)cc1)c1ccc(O)cc1

InChI:

InChI=1/C26H18O4/c27-20-14-10-18(11-15-20)26(24-9-5-4-8-23(24)25(28)30-26)19-12-16-22(17-13-19)29-21-6-2-1-3-7-21/h1-17,27H/t26-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.831 kcal/mol

Physical Properties
Molecular Weight: 394.426 g/mol	logS: -6.84557	SlogP: 5.9583	Reactive groups: 0

Topological Properties
Globularity: 0.130256	Sterimol/B1: 4.33838	Sterimol/B2: 4.97588	Sterimol/B3: 6.14212
Sterimol/B4: 6.15375	Sterimol/L: 16.7829

Surface and Volume Properties
Accessible surface: 642.425	Positive charged surface: 341.429	Negative charged surface: 300.996	Volume: 372.5
Hydrophobic surface: 536.679	Hydrophilic surface: 105.746

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.