MMsINC Database Search


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MMsINC code: MMs00163152

Type: Neutral
Formula: C₁₆H₂₁N₂+

SMILES:

[NH2+](Cc1ccc(N(C)C)cc1)Cc1ccccc1

InChI:

InChI=1/C16H20N2/c1-18(2)16-10-8-15(9-11-16)13-17-12-14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.5312 kcal/mol

Physical Properties
Molecular Weight: 241.358 g/mol	logS: -2.7963	SlogP: 2.549	Reactive groups: 0

Topological Properties
Globularity: 0.0971926	Sterimol/B1: 2.41569	Sterimol/B2: 3.221	Sterimol/B3: 4.89135
Sterimol/B4: 4.97773	Sterimol/L: 15.9233

Surface and Volume Properties
Accessible surface: 530.307	Positive charged surface: 386.382	Negative charged surface: 143.924	Volume: 271.375
Hydrophobic surface: 499.902	Hydrophilic surface: 30.405

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

MMs00163153
ASINEX-ZINC00784582