MMsINC Database Search


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MMsINC code: MMs03482689

Type: Neutral
Formula: C₁₉H₁₃NO₄

SMILES:

O1c2c(OC1)cc1c(c3ncc4c(c3cc1)ccc(O)c4OC)c2

InChI:

InChI=1/C19H13NO4/c1-22-19-14-8-20-18-12(11(14)4-5-15(19)21)3-2-10-6-16-17(7-13(10)18)24-9-23-16/h2-8,21H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.064 kcal/mol

Physical Properties
Molecular Weight: 319.316 g/mol	logS: -5.37271	SlogP: 3.9841	Reactive groups: 0

Topological Properties
Globularity: 0.0153919	Sterimol/B1: 2.1134	Sterimol/B2: 2.43762	Sterimol/B3: 3.18378
Sterimol/B4: 7.30717	Sterimol/L: 16.283

Surface and Volume Properties
Accessible surface: 520.132	Positive charged surface: 334.769	Negative charged surface: 158.358	Volume: 287.75
Hydrophobic surface: 397.306	Hydrophilic surface: 122.826

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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: no related molecules available.