MMsINC Database Search


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MMsINC code: MMs03914766

Type: Neutral
Formula: C₁₉H₁₄F₃N₃

SMILES:

FC(F)(F)c1c2c(nc(c1)-c1cc3c(cc1)cccc3)n(nc2C)C

InChI:

InChI=1/C19H14F3N3/c1-11-17-15(19(20,21)22)10-16(23-18(17)25(2)24-11)14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.661 kcal/mol

Physical Properties
Molecular Weight: 341.336 g/mol	logS: -7.18353	SlogP: 5.78642	Reactive groups: 0

Topological Properties
Globularity: 0.0101418	Sterimol/B1: 2.64982	Sterimol/B2: 2.68133	Sterimol/B3: 4.87432
Sterimol/B4: 6.03051	Sterimol/L: 16.556

Surface and Volume Properties
Accessible surface: 548.769	Positive charged surface: 271.612	Negative charged surface: 256.778	Volume: 301.25
Hydrophobic surface: 433.991	Hydrophilic surface: 114.778

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.