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MMsINC code: MMs02398452

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

OC1(N(CCN(CC)CC)C(=O)c2c1cccc2)c1ccccc1

InChI:

InChI=1/C20H24N2O2/c1-3-21(4-2)14-15-22-19(23)17-12-8-9-13-18(17)20(22,24)16-10-6-5-7-11-16/h5-13,24H,3-4,14-15H2,1-2H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2607 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -3.72105	SlogP: 2.9891	Reactive groups: 0

Topological Properties
Globularity: 0.1736	Sterimol/B1: 2.80679	Sterimol/B2: 3.17466	Sterimol/B3: 5.49162
Sterimol/B4: 8.37148	Sterimol/L: 14.7135

Surface and Volume Properties
Accessible surface: 573.096	Positive charged surface: 360.307	Negative charged surface: 212.788	Volume: 330.25
Hydrophobic surface: 465.139	Hydrophilic surface: 107.957

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02398453
NCID-ZINC04726484