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MMsINC code: MMs02628136

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O(CC)c1ccccc1C(=O)N1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C20H24N2O2/c1-2-24-19-11-7-6-10-18(19)20(23)22-14-12-21(13-15-22)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.388 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -3.61724	SlogP: 3.3097	Reactive groups: 0

Topological Properties
Globularity: 0.0650618	Sterimol/B1: 2.0267	Sterimol/B2: 3.28368	Sterimol/B3: 4.2985
Sterimol/B4: 8.90409	Sterimol/L: 16.4318

Surface and Volume Properties
Accessible surface: 610.482	Positive charged surface: 420.276	Negative charged surface: 190.206	Volume: 333.75
Hydrophobic surface: 549.854	Hydrophilic surface: 60.628

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02628137
PUBCHEM-ZINC00035568