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MMsINC code: MMs00442122

Type: Neutral
Formula: C₁₄H₁₇N₂+

SMILES:

[NH2+](Cc1ncccc1C)Cc1ccccc1

InChI:

InChI=1/C14H16N2/c1-12-6-5-9-16-14(12)11-15-10-13-7-3-2-4-8-13/h2-9,15H,10-11H2,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.0484 kcal/mol

Physical Properties
Molecular Weight: 213.304 g/mol	logS: -1.92414	SlogP: 2.18642	Reactive groups: 0

Topological Properties
Globularity: 0.0533061	Sterimol/B1: 2.08308	Sterimol/B2: 3.22179	Sterimol/B3: 3.28538
Sterimol/B4: 6.4441	Sterimol/L: 14.5345

Surface and Volume Properties
Accessible surface: 476.642	Positive charged surface: 322.276	Negative charged surface: 154.366	Volume: 234.75
Hydrophobic surface: 447.587	Hydrophilic surface: 29.055

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

MMs00442123
ASINEX-ZINC06677763