MMsINC Database Search


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MMsINC code: MMs02314076

Type: Tautomer
Formula: C₁₉H₂₀N₂

SMILES:

[nH]1cccc1CN(Cc1ccccc1)Cc1ccccc1

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5206 kcal/mol

Physical Properties
Molecular Weight: 276.383 g/mol	logS: -3.38827	SlogP: 5.0163	Reactive groups: 0

Topological Properties
Globularity: 0.254654	Sterimol/B1: 2.8981	Sterimol/B2: 2.92568	Sterimol/B3: 4.73411
Sterimol/B4: 8.83923	Sterimol/L: 12.959

Surface and Volume Properties
Accessible surface: 533.766	Positive charged surface: 315.25	Negative charged surface: 218.516	Volume: 298.25
Hydrophobic surface: 473.946	Hydrophilic surface: 59.82

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
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: 1

search links for this molecule:

Parent related molecule:

MMs02314075
NCID-ZINC01679488