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MMsINC code: MMs02293211

Type: Neutral
Formula: C₂₂H₂₄N₂O₂

SMILES:

O(C(=O)c1n(c2c(c1)cccc2)Cc1ccccc1)CCN1CCCC1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.5279 kcal/mol

Physical Properties
Molecular Weight: 348.446 g/mol	logS: -4.32161	SlogP: 4.2086	Reactive groups: 0

Topological Properties
Globularity: 0.108212	Sterimol/B1: 2.35688	Sterimol/B2: 3.72611	Sterimol/B3: 4.25257
Sterimol/B4: 8.83235	Sterimol/L: 16.0736

Surface and Volume Properties
Accessible surface: 573.337	Positive charged surface: 360.109	Negative charged surface: 208.325	Volume: 352.75
Hydrophobic surface: 521.065	Hydrophilic surface: 52.272

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

MMs02293212
NCID-ZINC01654522