MMsINC Database Search


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MMsINC code: MMs02243397

Type: Neutral
Formula: C₁₉H₂₆N+

SMILES:

[N+](C(CC(c1ccccc1)c1ccccc1)C)(C)(C)C

InChI:

InChI=1/C19H26N/c1-16(20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3/q+1/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.902 kcal/mol

Physical Properties
Molecular Weight: 268.424 g/mol	logS: -3.35886	SlogP: 4.3033	Reactive groups: 0

Topological Properties
Globularity: 0.284484	Sterimol/B1: 2.0713	Sterimol/B2: 3.75157	Sterimol/B3: 5.85793
Sterimol/B4: 6.98289	Sterimol/L: 13.1933

Surface and Volume Properties
Accessible surface: 526.85	Positive charged surface: 364.45	Negative charged surface: 162.4	Volume: 304.375
Hydrophobic surface: 462.312	Hydrophilic surface: 64.538

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: no related molecules available.