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MMsINC code: MMs00334416

Type: Neutral
Formula: C₁₄H₁₇N₂+

SMILES:

[NH2+](Cc1ccccc1C)Cc1ccncc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.864 kcal/mol

Physical Properties
Molecular Weight: 213.304 g/mol	logS: -2.08467	SlogP: 2.18642	Reactive groups: 0

Topological Properties
Globularity: 0.110228	Sterimol/B1: 2.19139	Sterimol/B2: 3.35592	Sterimol/B3: 3.45675
Sterimol/B4: 6.52917	Sterimol/L: 13.6383

Surface and Volume Properties
Accessible surface: 466.246	Positive charged surface: 322.426	Negative charged surface: 143.819	Volume: 233.5
Hydrophobic surface: 422.497	Hydrophilic surface: 43.749

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

MMs00334417
ASINEX-ZINC04413634