MMsINC Database Search


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MMsINC code: MMs02281757

Type: Neutral
Formula: C₁₉H₁₉N₂+

SMILES:

[nH+]1ccccc1N(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C19H18N2/c1-3-9-17(10-4-1)15-21(19-13-7-8-14-20-19)16-18-11-5-2-6-12-18/h1-14H,15-16H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4481 kcal/mol

Physical Properties
Molecular Weight: 275.375 g/mol	logS: -3.87682	SlogP: 4.2403	Reactive groups: 0

Topological Properties
Globularity: 0.162723	Sterimol/B1: 2.61261	Sterimol/B2: 3.4197	Sterimol/B3: 4.72968
Sterimol/B4: 7.53097	Sterimol/L: 15.0414

Surface and Volume Properties
Accessible surface: 537.277	Positive charged surface: 332.578	Negative charged surface: 204.698	Volume: 298.625
Hydrophobic surface: 506.717	Hydrophilic surface: 30.56

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02281758
NCID-ZINC01639529