MMsINC Database Search


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

MMsINC code: MMs00352309

Type: Neutral
Formula: C₂₁H₁₉Cl₂NO

SMILES:

Clc1cc(Cl)cc(CN(Cc2ccccc2)Cc2ccccc2)c1O

InChI:

InChI=1/C21H19Cl2NO/c22-19-11-18(21(25)20(23)12-19)15-24(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-12,25H,13-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.611 kcal/mol

Physical Properties
Molecular Weight: 372.295 g/mol	logS: -5.89876	SlogP: 6.7006	Reactive groups: 0

Topological Properties
Globularity: 0.125492	Sterimol/B1: 2.50854	Sterimol/B2: 3.10661	Sterimol/B3: 4.05717
Sterimol/B4: 11.2546	Sterimol/L: 14.5503

Surface and Volume Properties
Accessible surface: 601.384	Positive charged surface: 276.585	Negative charged surface: 324.799	Volume: 348.75
Hydrophobic surface: 550.308	Hydrophilic surface: 51.076

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs00352310
ASINEX-ZINC04559556