MMsINC Database Search


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MMsINC code: MMs02856560

Type: Neutral
Formula: C₁₄H₈Cl₄O₃

SMILES:

Clc1c(Oc2ccccc2CC(O)=O)c(Cl)c(Cl)cc1Cl

InChI:

InChI=1/C14H8Cl4O3/c15-8-6-9(16)13(18)14(12(8)17)21-10-4-2-1-3-7(10)5-11(19)20/h1-4,6H,5H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8633 kcal/mol

Physical Properties
Molecular Weight: 366.027 g/mol	logS: -6.13562	SlogP: 5.71957	Reactive groups: 0

Topological Properties
Globularity: 0.18012	Sterimol/B1: 2.40931	Sterimol/B2: 4.08399	Sterimol/B3: 5.42169
Sterimol/B4: 7.5437	Sterimol/L: 12.1015

Surface and Volume Properties
Accessible surface: 511.34	Positive charged surface: 184.386	Negative charged surface: 326.954	Volume: 280.875
Hydrophobic surface: 429.549	Hydrophilic surface: 81.791

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules

MMs02856561
PUBCHEM-ZINC02021286