MMsINC Database Search


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MMsINC code: MMs02303823

Type: Neutral
Formula: C₂₄H₁₉N₂+

SMILES:

[n+]1(ccccc1-c1cc-2n(C=Cc3c-2cccc3)c1-c1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.155 kcal/mol

Physical Properties
Molecular Weight: 335.43 g/mol	logS: -5.9141	SlogP: 5.6141	Reactive groups: 0

Topological Properties
Globularity: 0.0847873	Sterimol/B1: 2.37097	Sterimol/B2: 2.5235	Sterimol/B3: 5.15761
Sterimol/B4: 8.97279	Sterimol/L: 15.1813

Surface and Volume Properties
Accessible surface: 580.509	Positive charged surface: 354.524	Negative charged surface: 225.984	Volume: 346
Hydrophobic surface: 534.243	Hydrophilic surface: 46.266

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.