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MMsINC code: MMs00733877

Type: Neutral
Formula: C₂₂H₂₈N₂O₂

SMILES:

O1CCN(CC1)CCCNC(=O)c1ccccc1CCc1ccccc1

InChI:

InChI=1/C22H28N2O2/c25-22(23-13-6-14-24-15-17-26-18-16-24)21-10-5-4-9-20(21)12-11-19-7-2-1-3-8-19/h1-5,7-10H,6,11-18H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.3405 kcal/mol

Physical Properties
Molecular Weight: 352.478 g/mol	logS: -4.41345	SlogP: 2.92384	Reactive groups: 0

Topological Properties
Globularity: 0.0334171	Sterimol/B1: 2.46104	Sterimol/B2: 3.27925	Sterimol/B3: 3.70388
Sterimol/B4: 10.9911	Sterimol/L: 18.3954

Surface and Volume Properties
Accessible surface: 666.965	Positive charged surface: 471.504	Negative charged surface: 195.461	Volume: 367.875
Hydrophobic surface: 631.936	Hydrophilic surface: 35.029

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

MMs00733878
CHEMBRIDGE-ZINC02881045