MMsINC Database Search


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MMsINC code: MMs03264016

Type: Neutral
Formula: C₂₀H₂₀N+

SMILES:

[n+]1(ccccc1)C(c1ccccc1C)c1ccccc1C

InChI:

InChI=1/C20H20N/c1-16-10-4-6-12-18(16)20(21-14-8-3-9-15-21)19-13-7-5-11-17(19)2/h3-15,20H,1-2H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.328 kcal/mol

Physical Properties
Molecular Weight: 274.387 g/mol	logS: -4.48	SlogP: 4.32414	Reactive groups: 0

Topological Properties
Globularity: 0.622853	Sterimol/B1: 2.09995	Sterimol/B2: 2.54682	Sterimol/B3: 6.79766
Sterimol/B4: 8.29395	Sterimol/L: 11.6343

Surface and Volume Properties
Accessible surface: 511.826	Positive charged surface: 289.826	Negative charged surface: 222	Volume: 296.25
Hydrophobic surface: 498.016	Hydrophilic surface: 13.81

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.