MMsINC Database Search


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MMsINC code: MMs03261421

Type: Neutral
Formula: C₂₀H₂₀N+

SMILES:

[n+]1(ccccc1)C(c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C20H20N/c1-16-6-10-18(11-7-16)20(21-14-4-3-5-15-21)19-12-8-17(2)9-13-19/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)=105.87 kcal/mol

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

Topological Properties
Globularity: 0.173067	Sterimol/B1: 2.40101	Sterimol/B2: 3.89174	Sterimol/B3: 4.24232
Sterimol/B4: 9.46374	Sterimol/L: 13.7256

Surface and Volume Properties
Accessible surface: 535.01	Positive charged surface: 328.137	Negative charged surface: 206.873	Volume: 296.625
Hydrophobic surface: 522.508	Hydrophilic surface: 12.502

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.