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MMsINC code: MMs00196991

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C)c1ccc(cc1)C1N(Cc2cccnc2)C(=O)C(O)=C1C(=O)c1ccccc1

InChI:

InChI=1/C24H20N2O4/c1-30-19-11-9-17(10-12-19)21-20(22(27)18-7-3-2-4-8-18)23(28)24(29)26(21)15-16-6-5-13-25-14-16/h2-14,21,28H,15H2,1H3/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.423 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -4.42274	SlogP: 4.2306	Reactive groups: 1

Topological Properties
Globularity: 0.14416	Sterimol/B1: 2.43012	Sterimol/B2: 3.81369	Sterimol/B3: 4.50911
Sterimol/B4: 9.39762	Sterimol/L: 15.7851

Surface and Volume Properties
Accessible surface: 614.663	Positive charged surface: 394.876	Negative charged surface: 219.786	Volume: 376.125
Hydrophobic surface: 481.866	Hydrophilic surface: 132.797

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00196994
ASINEX-ZINC00860787