MMsINC Database Search


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MMsINC code: MMs00600298

Type: Neutral
Formula: C₁₉H₂₄N₂O₂

SMILES:

O(C)c1ccccc1CN1CCN(CC1)c1cc(OC)ccc1

InChI:

InChI=1/C19H24N2O2/c1-22-18-8-5-7-17(14-18)21-12-10-20(11-13-21)15-16-6-3-4-9-19(16)23-2/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)=157.029 kcal/mol

Physical Properties
Molecular Weight: 312.413 g/mol	logS: -3.22768	SlogP: 3.2924	Reactive groups: 0

Topological Properties
Globularity: 0.103722	Sterimol/B1: 3.20387	Sterimol/B2: 3.49479	Sterimol/B3: 5.28657
Sterimol/B4: 6.17371	Sterimol/L: 16.2753

Surface and Volume Properties
Accessible surface: 585.382	Positive charged surface: 453.025	Negative charged surface: 132.358	Volume: 321.375
Hydrophobic surface: 556.181	Hydrophilic surface: 29.201

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

search links for this molecule:

Ions/Tautomers related molecules

MMs00600299
CHEMBRIDGE-ZINC00277205