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MMsINC code: MMs00991645

Type: Neutral
Formula: C₂₁H₂₆N₂O₂

SMILES:

O=C(c1ccccc1C)c1n(ccc1)CC(=O)NC1CCCCCC1

InChI:

InChI=1/C21H26N2O2/c1-16-9-6-7-12-18(16)21(25)19-13-8-14-23(19)15-20(24)22-17-10-4-2-3-5-11-17/h6-9,12-14,17H,2-5,10-11,15H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5769 kcal/mol

Physical Properties
Molecular Weight: 338.451 g/mol	logS: -4.58069	SlogP: 4.13292	Reactive groups: 0

Topological Properties
Globularity: 0.119533	Sterimol/B1: 2.37677	Sterimol/B2: 3.01572	Sterimol/B3: 5.37673
Sterimol/B4: 7.10212	Sterimol/L: 15.9801

Surface and Volume Properties
Accessible surface: 615.771	Positive charged surface: 404.586	Negative charged surface: 211.185	Volume: 347.5
Hydrophobic surface: 551.614	Hydrophilic surface: 64.157

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.