MMsINC Database Search


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MMsINC code: MMs02314075

Type: Neutral
Formula: C₁₉H₂₁N₂+

SMILES:

[NH+](Cc1ccccc1)(Cc1ccccc1)Cc1[nH]ccc1

InChI:

InChI=1/C19H20N2/c1-3-8-17(9-4-1)14-21(16-19-12-7-13-20-19)15-18-10-5-2-6-11-18/h1-13,20H,14-16H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.2322 kcal/mol

Physical Properties
Molecular Weight: 277.391 g/mol	logS: -3.36388	SlogP: 3.5992	Reactive groups: 0

Topological Properties
Globularity: 0.318746	Sterimol/B1: 2.93259	Sterimol/B2: 3.33734	Sterimol/B3: 5.18842
Sterimol/B4: 8.07541	Sterimol/L: 12.8241

Surface and Volume Properties
Accessible surface: 534.138	Positive charged surface: 323.535	Negative charged surface: 210.603	Volume: 305
Hydrophobic surface: 476.762	Hydrophilic surface: 57.376

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02314076
NCID-ZINC01679488