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MMsINC code: MMs02327864

Type: Neutral
Formula: C₁₀H₁₀F₅N₂+

SMILES:

FC(F)(C(=[NH2+])NCc1ccccc1)C(F)(F)F

InChI:

InChI=1/C10H9F5N2/c11-9(12,10(13,14)15)8(16)17-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,16,17)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.6265 kcal/mol

Physical Properties
Molecular Weight: 253.194 g/mol	logS: -3.49371	SlogP: 2.2376	Reactive groups: 1

Topological Properties
Globularity: 0.143557	Sterimol/B1: 3.15805	Sterimol/B2: 3.5281	Sterimol/B3: 3.60019
Sterimol/B4: 4.75608	Sterimol/L: 12.2681

Surface and Volume Properties
Accessible surface: 422.832	Positive charged surface: 188.544	Negative charged surface: 234.288	Volume: 197.625
Hydrophobic surface: 212.219	Hydrophilic surface: 210.613

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
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

MMs02327865
NCID-ZINC01697253