MMsINC Database Search


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MMsINC code: MMs00667886

Type: Neutral
Formula: C₁₅H₉F₆N₅

SMILES:

FC(F)(F)c1n(nc(c1)C(F)(F)F)-c1nc(nc(c1)-c1ccccc1)N

InChI:

InChI=1/C15H9F6N5/c16-14(17,18)10-7-11(15(19,20)21)26(25-10)12-6-9(23-13(22)24-12)8-4-2-1-3-5-8/h1-7H,(H2,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.3422 kcal/mol

Physical Properties
Molecular Weight: 373.26 g/mol	logS: -5.88965	SlogP: 4.5721	Reactive groups: 0

Topological Properties
Globularity: 0.0255241	Sterimol/B1: 2.91303	Sterimol/B2: 3.48633	Sterimol/B3: 3.88765
Sterimol/B4: 7.42368	Sterimol/L: 14.5588

Surface and Volume Properties
Accessible surface: 547.518	Positive charged surface: 203.011	Negative charged surface: 338.972	Volume: 278.625
Hydrophobic surface: 238.936	Hydrophilic surface: 308.582

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.