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MMsINC code: MMs00049480

Type: Neutral
Formula: C₁₁H₁₄FN₂+

SMILES:

Fc1cc2c([nH]cc2C[NH+](C)C)cc1

InChI:

InChI=1/C11H13FN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.9771 kcal/mol

Physical Properties
Molecular Weight: 193.245 g/mol	logS: -1.81682	SlogP: 1.2179	Reactive groups: 0

Topological Properties
Globularity: 0.0981639	Sterimol/B1: 2.32446	Sterimol/B2: 3.6593	Sterimol/B3: 4.31306
Sterimol/B4: 5.41953	Sterimol/L: 11.6981

Surface and Volume Properties
Accessible surface: 404.16	Positive charged surface: 286.081	Negative charged surface: 113.91	Volume: 197.5
Hydrophobic surface: 306.332	Hydrophilic surface: 97.828

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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

MMs00049481
APOLLO-ZINC01569425