MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03256966

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O(C)c1cc(N2CCN(CC2)Cc2ccccc2C)ccc1

InChI:

InChI=1/C19H24N2O/c1-16-6-3-4-7-17(16)15-20-10-12-21(13-11-20)18-8-5-9-19(14-18)22-2/h3-9,14H,10-13,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.456 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.65122	SlogP: 3.59222	Reactive groups: 0

Topological Properties
Globularity: 0.0836013	Sterimol/B1: 2.54514	Sterimol/B2: 2.75937	Sterimol/B3: 5.13155
Sterimol/B4: 6.38211	Sterimol/L: 16.3309

Surface and Volume Properties
Accessible surface: 563.21	Positive charged surface: 404.843	Negative charged surface: 158.367	Volume: 312.75
Hydrophobic surface: 534.101	Hydrophilic surface: 29.109

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

search links for this molecule:

Ions/Tautomers related molecules

MMs03256967
PUBCHEM-ZINC05394612