MMsINC Database Search


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

MMsINC code: MMs03348690

Type: Neutral
Formula: C₂₀H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1COc1ccccc1C(=O)NCc1ncccc1

InChI:

InChI=1/C20H16Cl2N2O2/c21-15-9-8-14(18(22)11-15)13-26-19-7-2-1-6-17(19)20(25)24-12-16-5-3-4-10-23-16/h1-11H,12-13H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1967 kcal/mol

Physical Properties
Molecular Weight: 387.266 g/mol	logS: -5.48055	SlogP: 5.4302	Reactive groups: 0

Topological Properties
Globularity: 0.0289623	Sterimol/B1: 2.6314	Sterimol/B2: 3.44969	Sterimol/B3: 3.80904
Sterimol/B4: 10.3571	Sterimol/L: 18.2629

Surface and Volume Properties
Accessible surface: 643	Positive charged surface: 314.329	Negative charged surface: 328.672	Volume: 344.625
Hydrophobic surface: 593.844	Hydrophilic surface: 49.156

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.