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MMsINC code: MMs00279869

Type: Neutral
Formula: C₁₃H₁₇N₂+

SMILES:

[NH2+](Cc1ccccc1)Cc1n(ccc1)C

InChI:

InChI=1/C13H16N2/c1-15-9-5-8-13(15)11-14-10-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.3897 kcal/mol

Physical Properties
Molecular Weight: 201.293 g/mol	logS: -1.35904	SlogP: 2.1807	Reactive groups: 0

Topological Properties
Globularity: 0.111991	Sterimol/B1: 1.98189	Sterimol/B2: 3.22038	Sterimol/B3: 3.62261
Sterimol/B4: 6.03413	Sterimol/L: 13.5012

Surface and Volume Properties
Accessible surface: 461.339	Positive charged surface: 305.828	Negative charged surface: 155.511	Volume: 224.625
Hydrophobic surface: 409.409	Hydrophilic surface: 51.93

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00279870
ASINEX-ZINC02868930