MMsINC Database Search


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MMsINC code: MMs02965405

Type: Neutral
Formula: C₂₃H₁₇F₃N₂

SMILES:

FC(F)(F)c1cc2nc(c(nc2cc1)-c1ccc(cc1)C)-c1ccc(cc1)C

InChI:

InChI=1/C23H17F3N2/c1-14-3-7-16(8-4-14)21-22(17-9-5-15(2)6-10-17)28-20-13-18(23(24,25)26)11-12-19(20)27-21/h3-13H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.867 kcal/mol

Physical Properties
Molecular Weight: 378.397 g/mol	logS: -7.47883	SlogP: 6.91094	Reactive groups: 0

Topological Properties
Globularity: 0.0434025	Sterimol/B1: 2.55725	Sterimol/B2: 2.80557	Sterimol/B3: 3.43727
Sterimol/B4: 9.30883	Sterimol/L: 15.9256

Surface and Volume Properties
Accessible surface: 615.392	Positive charged surface: 309.311	Negative charged surface: 301.655	Volume: 344.875
Hydrophobic surface: 474.005	Hydrophilic surface: 141.387

Pharmacophoric Properties
Hydrogen bond donors: 0	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.