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MMsINC code: MMs00865844

Type: Neutral
Formula: C₂₄H₁₉FN₂O₄

SMILES:

Fc1ccc(cc1)C1N(Cc2cccnc2)C(=O)C(O)=C1C(=O)c1ccc(OC)cc1

InChI:

InChI=1/C24H19FN2O4/c1-31-19-10-6-17(7-11-19)22(28)20-21(16-4-8-18(25)9-5-16)27(24(30)23(20)29)14-15-3-2-12-26-13-15/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)=107.451 kcal/mol

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

Topological Properties
Globularity: 0.156436	Sterimol/B1: 2.11706	Sterimol/B2: 5.5521	Sterimol/B3: 5.58231
Sterimol/B4: 6.71396	Sterimol/L: 17.237

Surface and Volume Properties
Accessible surface: 627.143	Positive charged surface: 393.011	Negative charged surface: 234.132	Volume: 378.75
Hydrophobic surface: 486.028	Hydrophilic surface: 141.115

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

MMs00865847
CHEMDIV-ZINC01446544