MMsINC Database Search


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MMsINC code: MMs00269408

Type: Neutral
Formula: C₂₅H₁₉N₂+

SMILES:

[nH+]1c(c([nH]c1-c1ccccc1)-c1ccccc1)-c1c2c(ccc1)cccc2

InChI:

InChI=1/C25H18N2/c1-3-11-19(12-4-1)23-24(27-25(26-23)20-13-5-2-6-14-20)22-17-9-15-18-10-7-8-16-21(18)22/h1-17H,(H,26,27)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8966 kcal/mol

Physical Properties
Molecular Weight: 347.441 g/mol	logS: -9.31861	SlogP: 5.983	Reactive groups: 0

Topological Properties
Globularity: 0.128839	Sterimol/B1: 2.65842	Sterimol/B2: 3.06657	Sterimol/B3: 5.72649
Sterimol/B4: 10.5075	Sterimol/L: 15.1155

Surface and Volume Properties
Accessible surface: 616.479	Positive charged surface: 348.195	Negative charged surface: 262.354	Volume: 361
Hydrophobic surface: 579.462	Hydrophilic surface: 37.017

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: 0

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Ions/Tautomers related molecules

MMs00269409
ASINEX-ZINC02337902