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MMsINC code: MMs00511079

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)N\N=C\c1ccc(OCc2ccc(cc2)C)cc1

InChI:

InChI=1/C24H24N2O4/c1-17-4-6-19(7-5-17)16-30-21-11-8-18(9-12-21)15-25-26-24(27)20-10-13-22(28-2)23(14-20)29-3/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)=141.48 kcal/mol

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

Topological Properties
Globularity: 0.0118561	Sterimol/B1: 3.61776	Sterimol/B2: 3.61814	Sterimol/B3: 5.3626
Sterimol/B4: 5.38809	Sterimol/L: 25.4067

Surface and Volume Properties
Accessible surface: 759.196	Positive charged surface: 499.242	Negative charged surface: 259.954	Volume: 399.5
Hydrophobic surface: 657.115	Hydrophilic surface: 102.081

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

MMs00511080
CHEMBLOCK-ZINC01052180