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MMsINC code: MMs01712057

Type: Neutral
Formula: C₁₄H₁₃F₂N₂+

SMILES:

Fc1cc(N\C(=[NH+]/C)\c2ccccc2)ccc1F

InChI:

InChI=1/C14H12F2N2/c1-17-14(10-5-3-2-4-6-10)18-11-7-8-12(15)13(16)9-11/h2-9H,1H3,(H,17,18)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.2991 kcal/mol

Physical Properties
Molecular Weight: 247.268 g/mol	logS: -4.01521	SlogP: 1.5339	Reactive groups: 0

Topological Properties
Globularity: 0.170991	Sterimol/B1: 2.00687	Sterimol/B2: 3.06442	Sterimol/B3: 3.94312
Sterimol/B4: 8.82678	Sterimol/L: 11.3932

Surface and Volume Properties
Accessible surface: 463.117	Positive charged surface: 283.544	Negative charged surface: 179.573	Volume: 232.5
Hydrophobic surface: 404.947	Hydrophilic surface: 58.17

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

MMs01712058
ENAMINE-ZINC06904397