MMsINC Database Search


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MMsINC code: MMs02716596

Type: Neutral
Formula: C₂₃H₁₆F₃N₃O

SMILES:

FC(F)(F)c1cc(NC(=O)c2cnn(c2-c2ccccc2)-c2ccccc2)ccc1

InChI:

InChI=1/C23H16F3N3O/c24-23(25,26)17-10-7-11-18(14-17)28-22(30)20-15-27-29(19-12-5-2-6-13-19)21(20)16-8-3-1-4-9-16/h1-15H,(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.642 kcal/mol

Physical Properties
Molecular Weight: 407.395 g/mol	logS: -6.96051	SlogP: 6.1219	Reactive groups: 0

Topological Properties
Globularity: 0.0517643	Sterimol/B1: 2.56004	Sterimol/B2: 3.04938	Sterimol/B3: 4.47977
Sterimol/B4: 8.67698	Sterimol/L: 17.5945

Surface and Volume Properties
Accessible surface: 638.414	Positive charged surface: 304.37	Negative charged surface: 334.044	Volume: 359.875
Hydrophobic surface: 496.714	Hydrophilic surface: 141.7

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.