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MMsINC code: MMs00865848

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7283 kcal/mol

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

Topological Properties
Globularity: 0.281807	Sterimol/B1: 3.92243	Sterimol/B2: 5.45225	Sterimol/B3: 6.74107
Sterimol/B4: 8.29509	Sterimol/L: 13.7376

Surface and Volume Properties
Accessible surface: 662.307	Positive charged surface: 401.986	Negative charged surface: 260.322	Volume: 383.125
Hydrophobic surface: 531.736	Hydrophilic surface: 130.571

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

MMs00865849
CHEMDIV-ZINC01446545