MMsINC Database Search


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MMsINC code: MMs02696721

Type: Neutral
Formula: C₁₄H₁₀F₃N₃

SMILES:

FC(F)(F)c1ccccc1Nc1[nH]c2c(n1)cccc2

InChI:

InChI=1/C14H10F3N3/c15-14(16,17)9-5-1-2-6-10(9)18-13-19-11-7-3-4-8-12(11)20-13/h1-8H,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.9486 kcal/mol

Physical Properties
Molecular Weight: 277.249 g/mol	logS: -5.08319	SlogP: 4.6368	Reactive groups: 0

Topological Properties
Globularity: 0.00961288	Sterimol/B1: 2.40703	Sterimol/B2: 2.86053	Sterimol/B3: 2.86821
Sterimol/B4: 5.95658	Sterimol/L: 14.1923

Surface and Volume Properties
Accessible surface: 462.311	Positive charged surface: 212.805	Negative charged surface: 249.506	Volume: 234.125
Hydrophobic surface: 312.044	Hydrophilic surface: 150.267

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.