MMsINC Database Search


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MMsINC code: MMs00869570

Type: Neutral
Formula: C₁₉H₂₂N₂O₂

SMILES:

O(CCCn1c2c(nc1COC)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C19H22N2O2/c1-15-8-10-16(11-9-15)23-13-5-12-21-18-7-4-3-6-17(18)20-19(21)14-22-2/h3-4,6-11H,5,12-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.7012 kcal/mol

Physical Properties
Molecular Weight: 310.397 g/mol	logS: -4.16702	SlogP: 4.49302	Reactive groups: 0

Topological Properties
Globularity: 0.0555816	Sterimol/B1: 3.25839	Sterimol/B2: 4.36693	Sterimol/B3: 5.25772
Sterimol/B4: 7.05708	Sterimol/L: 17.7008

Surface and Volume Properties
Accessible surface: 611.307	Positive charged surface: 408.579	Negative charged surface: 202.728	Volume: 319.375
Hydrophobic surface: 565.845	Hydrophilic surface: 45.462

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.