MMsINC Database Search


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MMsINC code: MMs01895051

Type: Neutral
Formula: C₂₄H₁₉NO₄

SMILES:

o1c2c(nc1/C(=C\c1cc(OC)ccc1OC)/C(=O)c1ccccc1)cccc2

InChI:

InChI=1/C24H19NO4/c1-27-18-12-13-21(28-2)17(14-18)15-19(23(26)16-8-4-3-5-9-16)24-25-20-10-6-7-11-22(20)29-24/h3-15H,1-2H3/b19-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.022 kcal/mol

Physical Properties
Molecular Weight: 385.419 g/mol	logS: -6.30359	SlogP: 5.2685	Reactive groups: 1

Topological Properties
Globularity: 0.154183	Sterimol/B1: 3.7487	Sterimol/B2: 5.04406	Sterimol/B3: 6.58723
Sterimol/B4: 7.71006	Sterimol/L: 15.7845

Surface and Volume Properties
Accessible surface: 657.237	Positive charged surface: 413.442	Negative charged surface: 243.795	Volume: 369
Hydrophobic surface: 594.724	Hydrophilic surface: 62.513

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.