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MMsINC code: MMs01635562

Type: Neutral
Formula: C₁₉H₂₅N₂+

SMILES:

[NH2+](Cc1ccccc1N1CCCC1)Cc1ccc(cc1)C

InChI:

InChI=1/C19H24N2/c1-16-8-10-17(11-9-16)14-20-15-18-6-2-3-7-19(18)21-12-4-5-13-21/h2-3,6-11,20H,4-5,12-15H2,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1832 kcal/mol

Physical Properties
Molecular Weight: 281.423 g/mol	logS: -3.8226	SlogP: 3.39162	Reactive groups: 0

Topological Properties
Globularity: 0.111691	Sterimol/B1: 2.44521	Sterimol/B2: 4.71813	Sterimol/B3: 5.2687
Sterimol/B4: 6.41764	Sterimol/L: 14.6997

Surface and Volume Properties
Accessible surface: 563.615	Positive charged surface: 389.761	Negative charged surface: 173.855	Volume: 315.5
Hydrophobic surface: 533.665	Hydrophilic surface: 29.95

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

MMs01635563
ENAMINE-ZINC05701405