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MMsINC code: MMs00103351

Type: Neutral
Formula: C₂₁H₂₆N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)CCN2CCCCC2)cc1

InChI:

InChI=1/C21H26N2O2/c24-21(13-16-23-14-5-2-6-15-23)22-19-9-11-20(12-10-19)25-17-18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-17H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4536 kcal/mol

Physical Properties
Molecular Weight: 338.451 g/mol	logS: -3.93921	SlogP: 4.3465	Reactive groups: 0

Topological Properties
Globularity: 0.0256472	Sterimol/B1: 2.82726	Sterimol/B2: 3.05708	Sterimol/B3: 3.94895
Sterimol/B4: 4.36404	Sterimol/L: 22.6315

Surface and Volume Properties
Accessible surface: 660.119	Positive charged surface: 458.89	Negative charged surface: 201.229	Volume: 352.625
Hydrophobic surface: 606.129	Hydrophilic surface: 53.99

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

MMs00103352
ASINEX-ZINC00267004