MMsINC Database Search


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MMsINC code: MMs00048894

Type: Neutral
Formula: C₁₃H₈Cl₄N₂O

SMILES:

Clc1cc(NC(=O)Nc2cc(Cl)c(Cl)cc2)ccc1Cl

InChI:

InChI=1/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8334 kcal/mol

Physical Properties
Molecular Weight: 350.032 g/mol	logS: -6.18921	SlogP: 5.9442	Reactive groups: 0

Topological Properties
Globularity: 0.049975	Sterimol/B1: 2.55138	Sterimol/B2: 3.11795	Sterimol/B3: 4.13607
Sterimol/B4: 4.19096	Sterimol/L: 16.6386

Surface and Volume Properties
Accessible surface: 526.811	Positive charged surface: 176.932	Negative charged surface: 349.879	Volume: 269.25
Hydrophobic surface: 467.386	Hydrophilic surface: 59.425

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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

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Ions/Tautomers related molecules: no related molecules available.