MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00801863

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O(CCN1CCN(CC1)C)c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C20H24N2O2/c1-21-11-13-22(14-12-21)15-16-24-19-9-7-18(8-10-19)20(23)17-5-3-2-4-6-17/h2-10H,11-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.595 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -3.45269	SlogP: 2.5438	Reactive groups: 0

Topological Properties
Globularity: 0.0487431	Sterimol/B1: 2.3289	Sterimol/B2: 3.0526	Sterimol/B3: 4.62254
Sterimol/B4: 7.12409	Sterimol/L: 18.6054

Surface and Volume Properties
Accessible surface: 618.212	Positive charged surface: 447.445	Negative charged surface: 170.767	Volume: 332.25
Hydrophobic surface: 575.548	Hydrophilic surface: 42.664

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules

MMs00801864
CHEMBRIDGE-ZINC04845442