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MMsINC code: MMs03043485

Type: Neutral
Formula: C₁₉H₂₂N₂

SMILES:

[nH]1c2c(cccc2)c(CCCCN)c1-c1ccccc1C

InChI:

InChI=1/C19H22N2/c1-14-8-2-3-9-15(14)19-17(11-6-7-13-20)16-10-4-5-12-18(16)21-19/h2-5,8-10,12,21H,6-7,11,13,20H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.9262 kcal/mol

Physical Properties
Molecular Weight: 278.399 g/mol	logS: -4.67381	SlogP: 4.42469	Reactive groups: 0

Topological Properties
Globularity: 0.208082	Sterimol/B1: 2.2061	Sterimol/B2: 4.09435	Sterimol/B3: 6.26255
Sterimol/B4: 7.46546	Sterimol/L: 13.8252

Surface and Volume Properties
Accessible surface: 552.7	Positive charged surface: 363.656	Negative charged surface: 184.865	Volume: 302.625
Hydrophobic surface: 465.53	Hydrophilic surface: 87.17

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
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

MMs03043486
PUBCHEM-ZINC03690219