MMsINC Database Search


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MMsINC code: MMs03005426

Type: Neutral
Formula: C₁₇H₉F₇N₂

SMILES:

FC(F)(C(F)(F)C(F)(F)F)c1nc2c(nc1-c1ccccc1)cccc2

InChI:

InChI=1/C17H9F7N2/c18-15(19,16(20,21)17(22,23)24)14-13(10-6-2-1-3-7-10)25-11-8-4-5-9-12(11)26-14/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.539 kcal/mol

Physical Properties
Molecular Weight: 374.259 g/mol	logS: -5.69541	SlogP: 6.7375	Reactive groups: 0

Topological Properties
Globularity: 0.0725499	Sterimol/B1: 2.76196	Sterimol/B2: 3.08189	Sterimol/B3: 3.27222
Sterimol/B4: 8.95783	Sterimol/L: 13.7771

Surface and Volume Properties
Accessible surface: 517.945	Positive charged surface: 201.358	Negative charged surface: 314.335	Volume: 279.125
Hydrophobic surface: 325.999	Hydrophilic surface: 191.946

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.