MMsINC Database Search


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MMsINC code: MMs02366507

Type: Neutral
Formula: C₂₃H₁₉N₂+

SMILES:

[nH+]1c(cc(c(-c2ccccc2)c1N)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C23H18N2/c24-23-22(19-14-8-3-9-15-19)20(17-10-4-1-5-11-17)16-21(25-23)18-12-6-2-7-13-18/h1-16H,(H2,24,25)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6388 kcal/mol

Physical Properties
Molecular Weight: 323.419 g/mol	logS: -7.38243	SlogP: 5.0839	Reactive groups: 0

Topological Properties
Globularity: 0.110251	Sterimol/B1: 2.29185	Sterimol/B2: 3.54666	Sterimol/B3: 4.27671
Sterimol/B4: 8.88649	Sterimol/L: 16.1638

Surface and Volume Properties
Accessible surface: 602.216	Positive charged surface: 366.938	Negative charged surface: 231.146	Volume: 340.25
Hydrophobic surface: 529.212	Hydrophilic surface: 73.004

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
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: 1

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Ions/Tautomers related molecules

MMs02366508
NCID-ZINC01759459