MMsINC Database Search


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MMsINC code: MMs00445963

Type: Neutral
Formula: C₁₉H₁₈N₂O

SMILES:

O1CCN(CC1)c1cc(nc2c1cccc2)-c1ccccc1

InChI:

InChI=1/C19H18N2O/c1-2-6-15(7-3-1)18-14-19(21-10-12-22-13-11-21)16-8-4-5-9-17(16)20-18/h1-9,14H,10-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.585 kcal/mol

Physical Properties
Molecular Weight: 290.366 g/mol	logS: -4.58749	SlogP: 3.7384	Reactive groups: 0

Topological Properties
Globularity: 0.0760983	Sterimol/B1: 3.48645	Sterimol/B2: 3.55578	Sterimol/B3: 3.59826
Sterimol/B4: 8.25188	Sterimol/L: 13.5868

Surface and Volume Properties
Accessible surface: 534.946	Positive charged surface: 341.391	Negative charged surface: 183.837	Volume: 294.125
Hydrophobic surface: 491.351	Hydrophilic surface: 43.595

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.