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MMsINC code: MMs01350272

Type: Neutral
Formula: C₂₂H₂₄N₂O₂

SMILES:

O(C)c1ccc(N2CCN(CC2)Cc2c3c(ccc2O)cccc3)cc1

InChI:

InChI=1/C22H24N2O2/c1-26-19-9-7-18(8-10-19)24-14-12-23(13-15-24)16-21-20-5-3-2-4-17(20)6-11-22(21)25/h2-11,25H,12-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=177.181 kcal/mol

Physical Properties
Molecular Weight: 348.446 g/mol	logS: -4.69323	SlogP: 4.1426	Reactive groups: 0

Topological Properties
Globularity: 0.0855415	Sterimol/B1: 2.99702	Sterimol/B2: 5.03128	Sterimol/B3: 5.19181
Sterimol/B4: 5.2094	Sterimol/L: 17.6504

Surface and Volume Properties
Accessible surface: 612.39	Positive charged surface: 419.559	Negative charged surface: 185.915	Volume: 348.5
Hydrophobic surface: 543.045	Hydrophilic surface: 69.345

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01350273
ENAMINE-ZINC03285372