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MMsINC code: MMs02722005

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(Cc1ccc(cc1)C)c1ccc(cc1OC)\C=N\NC(=O)c1ccc(OC)cc1

InChI:

InChI=1/C24H24N2O4/c1-17-4-6-18(7-5-17)16-30-22-13-8-19(14-23(22)29-3)15-25-26-24(27)20-9-11-21(28-2)12-10-20/h4-15H,16H2,1-3H3,(H,26,27)/b25-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.983 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.93111	SlogP: 4.62152	Reactive groups: 0

Topological Properties
Globularity: 0.013031	Sterimol/B1: 3.61605	Sterimol/B2: 3.62046	Sterimol/B3: 4.05511
Sterimol/B4: 7.0844	Sterimol/L: 25.4739

Surface and Volume Properties
Accessible surface: 757.612	Positive charged surface: 497.92	Negative charged surface: 259.692	Volume: 400.125
Hydrophobic surface: 655.314	Hydrophilic surface: 102.298

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

MMs02722006
PUBCHEM-ZINC00657983