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MMsINC code: MMs02354278

Type: Neutral
Formula: C₂₂H₂₆N₂O₂

SMILES:

O=C1N(N(C(=O)C1CCCC(C)(C)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H26N2O2/c1-22(2,3)16-10-15-19-20(25)23(17-11-6-4-7-12-17)24(21(19)26)18-13-8-5-9-14-18/h4-9,11-14,19H,10,15-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.817 kcal/mol

Physical Properties
Molecular Weight: 350.462 g/mol	logS: -6.80719	SlogP: 4.814	Reactive groups: 0

Topological Properties
Globularity: 0.0711803	Sterimol/B1: 2.45754	Sterimol/B2: 4.96285	Sterimol/B3: 5.09708
Sterimol/B4: 6.20253	Sterimol/L: 16.7781

Surface and Volume Properties
Accessible surface: 629.039	Positive charged surface: 388.906	Negative charged surface: 240.134	Volume: 360.375
Hydrophobic surface: 519.944	Hydrophilic surface: 109.095

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02354279
NCID-ZINC01731385