MMsINC Database Search


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MMsINC code: MMs02221301

Type: Neutral
Formula: C₂₄H₁₉N₂+

SMILES:

[n+]1(c2c(c3cc(N)c4c(c3c1)cccc4)cccc2)Cc1ccccc1

InChI:

InChI=1/C24H18N2/c25-23-14-21-20-12-6-7-13-24(20)26(15-17-8-2-1-3-9-17)16-22(21)18-10-4-5-11-19(18)23/h1-14,16,25H,15H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.235 kcal/mol

Physical Properties
Molecular Weight: 335.43 g/mol	logS: -7.08758	SlogP: 5.3306	Reactive groups: 0

Topological Properties
Globularity: 0.0883107	Sterimol/B1: 2.31287	Sterimol/B2: 3.32545	Sterimol/B3: 5.40376
Sterimol/B4: 8.69274	Sterimol/L: 14.3798

Surface and Volume Properties
Accessible surface: 571.439	Positive charged surface: 310.786	Negative charged surface: 233.253	Volume: 340.125
Hydrophobic surface: 496.44	Hydrophilic surface: 74.999

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.