MMsINC Database Search


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

MMsINC code: MMs02364968

Type: Neutral
Formula: C₁₀H₅Cl₄NO₂

SMILES:

Clc1c([n+]([O-])c2c(cccc2)c1O)C(Cl)(Cl)Cl

InChI:

InChI=1/C10H5Cl4NO2/c11-7-8(16)5-3-1-2-4-6(5)15(17)9(7)10(12,13)14/h1-4,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.751 kcal/mol

Physical Properties
Molecular Weight: 312.967 g/mol	logS: -5.21329	SlogP: 3.9704	Reactive groups: 0

Topological Properties
Globularity: 0.0372279	Sterimol/B1: 3.04391	Sterimol/B2: 3.77887	Sterimol/B3: 4.55575
Sterimol/B4: 4.61287	Sterimol/L: 11.9221

Surface and Volume Properties
Accessible surface: 425.579	Positive charged surface: 118.567	Negative charged surface: 301.476	Volume: 223
Hydrophobic surface: 215.738	Hydrophilic surface: 209.841

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.