MMsINC Database Search


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MMsINC code: MMs01978425

Type: Neutral
Formula: C₁₉H₁₄FN₂+

SMILES:

Fc1ccc(cc1)-c1[n+](c2n(c1)C=CC=C2)-c1ccccc1

InChI:

InChI=1/C19H14FN2/c20-16-11-9-15(10-12-16)18-14-21-13-5-4-8-19(21)22(18)17-6-2-1-3-7-17/h1-14H/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.615 kcal/mol

Physical Properties
Molecular Weight: 289.333 g/mol	logS: -4.99936	SlogP: 4.0684	Reactive groups: 0

Topological Properties
Globularity: 0.0803789	Sterimol/B1: 2.44976	Sterimol/B2: 3.4042	Sterimol/B3: 3.56481
Sterimol/B4: 8.9616	Sterimol/L: 14.0286

Surface and Volume Properties
Accessible surface: 510.07	Positive charged surface: 303.637	Negative charged surface: 206.432	Volume: 279.375
Hydrophobic surface: 464.13	Hydrophilic surface: 45.94

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: no related molecules available.