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MMsINC code: MMs00674759

Type: Tautomer
Formula: C₂₄H₁₉FN₂O₄

SMILES:

Fc1ccccc1C1N(Cc2cccnc2)C(=O)C(O)=C1C(=O)c1ccc(OC)cc1

InChI:

InChI=1/C24H19FN2O4/c1-31-17-10-8-16(9-11-17)22(28)20-21(18-6-2-3-7-19(18)25)27(24(30)23(20)29)14-15-5-4-12-26-13-15/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)=106.66 kcal/mol

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

Topological Properties
Globularity: 0.160936	Sterimol/B1: 2.11496	Sterimol/B2: 5.02137	Sterimol/B3: 5.98273
Sterimol/B4: 6.7059	Sterimol/L: 17.0348

Surface and Volume Properties
Accessible surface: 614.959	Positive charged surface: 398.353	Negative charged surface: 216.605	Volume: 380.75
Hydrophobic surface: 475.973	Hydrophilic surface: 138.986

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

search links for this molecule:

Parent related molecule:

MMs00674757
CHEMBRIDGE-ZINC01157579