MMsINC Database Search


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MMsINC code: MMs03451016

Type: Neutral
Formula: C₁₄H₈Cl₄N₂

SMILES:

Clc1cc2n(Cc3cc(Cl)ccc3)c(Cl)nc2cc1Cl

InChI:

InChI=1/C14H8Cl4N2/c15-9-3-1-2-8(4-9)7-20-13-6-11(17)10(16)5-12(13)19-14(20)18/h1-6H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.9174 kcal/mol

Physical Properties
Molecular Weight: 346.044 g/mol	logS: -7.00539	SlogP: 5.9646	Reactive groups: 0

Topological Properties
Globularity: 0.123169	Sterimol/B1: 2.42803	Sterimol/B2: 4.47697	Sterimol/B3: 5.44263
Sterimol/B4: 5.8973	Sterimol/L: 13.4605

Surface and Volume Properties
Accessible surface: 506.246	Positive charged surface: 147.558	Negative charged surface: 358.688	Volume: 276.625
Hydrophobic surface: 460.202	Hydrophilic surface: 46.044

Pharmacophoric Properties
Hydrogen bond donors: 0	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.