MMsINC Database Search


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MMsINC code: MMs01167208

Type: Neutral
Formula: C₂₄H₂₀FN₃O₃

SMILES:

Fc1ccccc1NC(=O)c1n(nc(c1)-c1ccc(OC)cc1OC)-c1ccccc1

InChI:

InChI=1/C24H20FN3O3/c1-30-17-12-13-18(23(14-17)31-2)21-15-22(28(27-21)16-8-4-3-5-9-16)24(29)26-20-11-7-6-10-19(20)25/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)=143.167 kcal/mol

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

Topological Properties
Globularity: 0.0168714	Sterimol/B1: 2.87985	Sterimol/B2: 3.02308	Sterimol/B3: 3.447
Sterimol/B4: 10.0832	Sterimol/L: 18.5333

Surface and Volume Properties
Accessible surface: 687.876	Positive charged surface: 425.84	Negative charged surface: 262.036	Volume: 389.5
Hydrophobic surface: 633.312	Hydrophilic surface: 54.564

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.