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MMsINC code: MMs02312374

Type: Neutral
Formula: C₁₉H₂₄N+

SMILES:

[NH+]1(CCCCC1)C(c1ccccc1C)c1ccccc1

InChI:

InChI=1/C19H23N/c1-16-10-6-7-13-18(16)19(17-11-4-2-5-12-17)20-14-8-3-9-15-20/h2,4-7,10-13,19H,3,8-9,14-15H2,1H3/p+1/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.1943 kcal/mol

Physical Properties
Molecular Weight: 266.408 g/mol	logS: -4.22791	SlogP: 3.24872	Reactive groups: 0

Topological Properties
Globularity: 0.33969	Sterimol/B1: 1.969	Sterimol/B2: 3.51403	Sterimol/B3: 6.84351
Sterimol/B4: 8.25607	Sterimol/L: 11.6411

Surface and Volume Properties
Accessible surface: 522.969	Positive charged surface: 348.965	Negative charged surface: 174.004	Volume: 300.5
Hydrophobic surface: 513.175	Hydrophilic surface: 9.7940000000001

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

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

MMs02312375
NCID-ZINC01677384