MMsINC Database Search


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MMsINC code: MMs02300412

Type: Neutral
Formula: C₁₉H₂₆N+

SMILES:

[N+](Cc1c(cc(cc1C)C)C)(Cc1ccccc1)(C)C

InChI:

InChI=1/C19H26N/c1-15-11-16(2)19(17(3)12-15)14-20(4,5)13-18-9-7-6-8-10-18/h6-12H,13-14H2,1-5H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.892 kcal/mol

Physical Properties
Molecular Weight: 268.424 g/mol	logS: -4.31561	SlogP: 4.92126	Reactive groups: 0

Topological Properties
Globularity: 0.124117	Sterimol/B1: 2.11418	Sterimol/B2: 4.74537	Sterimol/B3: 4.74805
Sterimol/B4: 5.10438	Sterimol/L: 15.2898

Surface and Volume Properties
Accessible surface: 510.019	Positive charged surface: 333.423	Negative charged surface: 176.596	Volume: 301
Hydrophobic surface: 480.508	Hydrophilic surface: 29.511

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: no related molecules available.