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MMsINC code: MMs01770948

Type: Neutral
Formula: C₂₄H₁₉FN₂O₄

SMILES:

Fc1ccc(cc1)C1N(Cc2cccnc2)C(=O)C(O)=C1C(=O)c1cc(OC)ccc1

InChI:

InChI=1/C24H19FN2O4/c1-31-19-6-2-5-17(12-19)22(28)20-21(16-7-9-18(25)10-8-16)27(24(30)23(20)29)14-15-4-3-11-26-13-15/h2-13,21,29H,14H2,1H3/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.431 kcal/mol

Physical Properties
Molecular Weight: 418.424 g/mol	logS: -4.71772	SlogP: 4.3697	Reactive groups: 1

Topological Properties
Globularity: 0.104848	Sterimol/B1: 4.035	Sterimol/B2: 4.32808	Sterimol/B3: 4.92298
Sterimol/B4: 6.29881	Sterimol/L: 17.7706

Surface and Volume Properties
Accessible surface: 626.142	Positive charged surface: 390.256	Negative charged surface: 235.886	Volume: 378.875
Hydrophobic surface: 484.488	Hydrophilic surface: 141.654

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

MMs01770949
IBS-ZINC01479813