MMsINC Database Search


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MMsINC code: MMs00330885

Type: Neutral
Formula: C₁₉H₂₂N₂O₂

SMILES:

O(CCCn1c2c(nc1COC)cccc2)c1ccccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9777 kcal/mol

Physical Properties
Molecular Weight: 310.397 g/mol	logS: -3.85357	SlogP: 4.49302	Reactive groups: 0

Topological Properties
Globularity: 0.1107	Sterimol/B1: 2.04254	Sterimol/B2: 5.30982	Sterimol/B3: 6.68005
Sterimol/B4: 6.94879	Sterimol/L: 16.656

Surface and Volume Properties
Accessible surface: 611.071	Positive charged surface: 410.095	Negative charged surface: 200.976	Volume: 319
Hydrophobic surface: 570.29	Hydrophilic surface: 40.781

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.