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MMsINC code: MMs00366162

Type: Neutral
Formula: C₂₂H₂₆N₂O₃

SMILES:

O1c2cc(ccc2OC1)CN1CCN(CC1)C(=O)C(CC)c1ccccc1

InChI:

InChI=1/C22H26N2O3/c1-2-19(18-6-4-3-5-7-18)22(25)24-12-10-23(11-13-24)15-17-8-9-20-21(14-17)27-16-26-20/h3-9,14,19H,2,10-13,15-16H2,1H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.344 kcal/mol

Physical Properties
Molecular Weight: 366.461 g/mol	logS: -3.97321	SlogP: 3.5197	Reactive groups: 0

Topological Properties
Globularity: 0.110098	Sterimol/B1: 2.12923	Sterimol/B2: 2.54662	Sterimol/B3: 6.0046
Sterimol/B4: 8.33288	Sterimol/L: 17.0881

Surface and Volume Properties
Accessible surface: 634.759	Positive charged surface: 442.641	Negative charged surface: 192.118	Volume: 364.875
Hydrophobic surface: 535.981	Hydrophilic surface: 98.778

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00366163
ASINEX-ZINC04725605