MMsINC Database Search


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MMsINC code: MMs00404555

Type: Neutral
Formula: C₁₉H₁₅F₃N₆

SMILES:

FC(F)(F)c1cc(Nc2nc(nc3n(nnc23)Cc2ccccc2)C)ccc1

InChI:

InChI=1/C19H15F3N6/c1-12-23-17(25-15-9-5-8-14(10-15)19(20,21)22)16-18(24-12)28(27-26-16)11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.687 kcal/mol

Physical Properties
Molecular Weight: 384.365 g/mol	logS: -5.46635	SlogP: 4.91832	Reactive groups: 0

Topological Properties
Globularity: 0.070719	Sterimol/B1: 2.02136	Sterimol/B2: 2.48923	Sterimol/B3: 5.46589
Sterimol/B4: 7.40377	Sterimol/L: 17.7108

Surface and Volume Properties
Accessible surface: 619.51	Positive charged surface: 306.8	Negative charged surface: 312.71	Volume: 331
Hydrophobic surface: 415.044	Hydrophilic surface: 204.466

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.