MMsINC Database Search


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MMsINC code: MMs01136716

Type: Neutral
Formula: C₂₄H₂₀FN₃O₃

SMILES:

Fc1ccc(NC(=O)c2n(nc(c2)-c2ccc(OC)cc2OC)-c2ccccc2)cc1

InChI:

InChI=1/C24H20FN3O3/c1-30-19-12-13-20(23(14-19)31-2)21-15-22(28(27-21)18-6-4-3-5-7-18)24(29)26-17-10-8-16(25)9-11-17/h3-15H,1-2H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.519 kcal/mol

Physical Properties
Molecular Weight: 417.44 g/mol	logS: -6.45262	SlogP: 4.9479	Reactive groups: 0

Topological Properties
Globularity: 0.0246883	Sterimol/B1: 3.24579	Sterimol/B2: 3.41135	Sterimol/B3: 3.43725
Sterimol/B4: 10.0726	Sterimol/L: 18.7611

Surface and Volume Properties
Accessible surface: 702.845	Positive charged surface: 438.493	Negative charged surface: 264.352	Volume: 388.875
Hydrophobic surface: 643.038	Hydrophilic surface: 59.807

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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: no related molecules available.