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MMsINC code: MMs01234022

Type: Neutral
Formula: C₂₄H₁₈O₅

SMILES:

O1c2c(ccc(OCc3ccc(cc3)C(O)=O)c2C)C(=CC1=O)c1ccccc1

InChI:

InChI=1/C24H18O5/c1-15-21(28-14-16-7-9-18(10-8-16)24(26)27)12-11-19-20(13-22(25)29-23(15)19)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.994 kcal/mol

Physical Properties
Molecular Weight: 386.403 g/mol	logS: -6.49664	SlogP: 4.70661	Reactive groups: 0

Topological Properties
Globularity: 0.046686	Sterimol/B1: 3.04947	Sterimol/B2: 3.50131	Sterimol/B3: 3.76036
Sterimol/B4: 8.00585	Sterimol/L: 19.4316

Surface and Volume Properties
Accessible surface: 662.548	Positive charged surface: 370.602	Negative charged surface: 291.947	Volume: 361.625
Hydrophobic surface: 501.549	Hydrophilic surface: 160.999

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

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Ions/Tautomers related molecules

MMs01234023
ENAMINE-ZINC00622162