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MMsINC code: MMs02179680

Type: Neutral
Formula: C₂₀H₂₀N+

SMILES:

[NH3+]CC(c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H19N/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16,21H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.8724 kcal/mol

Physical Properties
Molecular Weight: 274.387 g/mol	logS: -4.3718	SlogP: 3.2629	Reactive groups: 0

Topological Properties
Globularity: 0.467835	Sterimol/B1: 3.81514	Sterimol/B2: 5.42077	Sterimol/B3: 5.61648
Sterimol/B4: 6.1287	Sterimol/L: 11.7241

Surface and Volume Properties
Accessible surface: 519.178	Positive charged surface: 325.591	Negative charged surface: 193.588	Volume: 300.875
Hydrophobic surface: 465.332	Hydrophilic surface: 53.846

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

MMs02179681
MDPI-ZINC03846221