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MMsINC code: MMs00103058

Type: Neutral
Formula: C₁₄H₁₂FN₂+

SMILES:

Fc1ccc(cc1)Cc1[nH+]c2c([nH]1)cccc2

InChI:

InChI=1/C14H11FN2/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.2083 kcal/mol

Physical Properties
Molecular Weight: 227.262 g/mol	logS: -3.70992	SlogP: 2.71187	Reactive groups: 0

Topological Properties
Globularity: 0.0887264	Sterimol/B1: 3.68106	Sterimol/B2: 3.79032	Sterimol/B3: 3.82183
Sterimol/B4: 4.31332	Sterimol/L: 14.036

Surface and Volume Properties
Accessible surface: 448.676	Positive charged surface: 269.523	Negative charged surface: 179.153	Volume: 223.25
Hydrophobic surface: 386.638	Hydrophilic surface: 62.038

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

MMs00103059
ASINEX-ZINC00266049