MMsINC Database Search


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MMsINC code: MMs02194340

Type: Neutral
Formula: C₁₉H₁₅N₂+

SMILES:

[n+]1(cc2c(cccc2)cc1)Cc1c2c(ncc1)cccc2

InChI:

InChI=1/C19H15N2/c1-2-6-16-13-21(12-10-15(16)5-1)14-17-9-11-20-19-8-4-3-7-18(17)19/h1-13H,14H2/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0925 kcal/mol

Physical Properties
Molecular Weight: 271.343 g/mol	logS: -4.23068	SlogP: 3.9902	Reactive groups: 0

Topological Properties
Globularity: 0.116929	Sterimol/B1: 2.57336	Sterimol/B2: 3.85756	Sterimol/B3: 4.94236
Sterimol/B4: 5.92591	Sterimol/L: 13.8917

Surface and Volume Properties
Accessible surface: 501.321	Positive charged surface: 304.291	Negative charged surface: 181.467	Volume: 275.125
Hydrophobic surface: 451.233	Hydrophilic surface: 50.088

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

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Ions/Tautomers related molecules: no related molecules available.