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MMsINC code: MMs02817969

Type: Neutral
Formula: C₂₂H₂₄N₂O₂

SMILES:

O(C(=O)c1n(c2c(c1)cccc2)-c1ccccc1)CCN1CCCCC1

InChI:

InChI=1/C22H24N2O2/c25-22(26-16-15-23-13-7-2-8-14-23)21-17-18-9-5-6-12-20(18)24(21)19-10-3-1-4-11-19/h1,3-6,9-12,17H,2,7-8,13-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7192 kcal/mol

Physical Properties
Molecular Weight: 348.446 g/mol	logS: -4.57934	SlogP: 4.2732	Reactive groups: 0

Topological Properties
Globularity: 0.126078	Sterimol/B1: 2.26595	Sterimol/B2: 3.21013	Sterimol/B3: 4.90649
Sterimol/B4: 7.90477	Sterimol/L: 16.1217

Surface and Volume Properties
Accessible surface: 576.537	Positive charged surface: 380.404	Negative charged surface: 190	Volume: 355.625
Hydrophobic surface: 539.189	Hydrophilic surface: 37.348

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

MMs02817970
PUBCHEM-ZINC01654526