MMsINC Database Search


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MMsINC code: MMs02220493

Type: Neutral
Formula: C₂₄H₁₉N₂+

SMILES:

[n+]1(c2c(c3c(cc(N)cc3)c1-c1c3c(ccc1)cccc3)cccc2)C

InChI:

InChI=1/C24H19N2/c1-26-23-12-5-4-10-20(23)19-14-13-17(25)15-22(19)24(26)21-11-6-8-16-7-2-3-9-18(16)21/h2-15H,25H2,1H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.392 kcal/mol

Physical Properties
Molecular Weight: 335.43 g/mol	logS: -7.71486	SlogP: 5.5791	Reactive groups: 0

Topological Properties
Globularity: 0.205361	Sterimol/B1: 2.43096	Sterimol/B2: 4.23052	Sterimol/B3: 5.77124
Sterimol/B4: 9.42533	Sterimol/L: 14.526

Surface and Volume Properties
Accessible surface: 570.095	Positive charged surface: 334.298	Negative charged surface: 219.908	Volume: 339.375
Hydrophobic surface: 487.512	Hydrophilic surface: 82.583

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.