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MMsINC code: MMs00866478

Type: Neutral
Formula: C₂₄H₁₉FN₂O₄

SMILES:

Fc1ccccc1C1N(Cc2ccncc2)C(=O)C(O)=C1C(=O)c1ccc(OC)cc1

InChI:

InChI=1/C24H19FN2O4/c1-31-17-8-6-16(7-9-17)22(28)20-21(18-4-2-3-5-19(18)25)27(24(30)23(20)29)14-15-10-12-26-13-11-15/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)=97.2059 kcal/mol

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

Topological Properties
Globularity: 0.269747	Sterimol/B1: 3.43741	Sterimol/B2: 4.53206	Sterimol/B3: 6.79346
Sterimol/B4: 8.57355	Sterimol/L: 13.6705

Surface and Volume Properties
Accessible surface: 653.377	Positive charged surface: 412.844	Negative charged surface: 240.533	Volume: 382.375
Hydrophobic surface: 520.396	Hydrophilic surface: 132.981

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

MMs00866481
CHEMDIV-ZINC01464737