MMsINC Database Search


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MMsINC code: MMs02339028

Type: Neutral
Formula: C₁₄H₆Cl₄O₃

SMILES:

Clc1c(C(=O)c2ccccc2)c(C(O)=O)c(Cl)c(Cl)c1Cl

InChI:

InChI=1/C14H6Cl4O3/c15-9-7(13(19)6-4-2-1-3-5-6)8(14(20)21)10(16)12(18)11(9)17/h1-5H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9351 kcal/mol

Physical Properties
Molecular Weight: 364.011 g/mol	logS: -6.36425	SlogP: 5.2294	Reactive groups: 0

Topological Properties
Globularity: 0.19072	Sterimol/B1: 3.13971	Sterimol/B2: 5.00036	Sterimol/B3: 5.25604
Sterimol/B4: 5.31385	Sterimol/L: 13.4969

Surface and Volume Properties
Accessible surface: 501.483	Positive charged surface: 149.385	Negative charged surface: 352.098	Volume: 274.75
Hydrophobic surface: 401.225	Hydrophilic surface: 100.258

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules

MMs02339029
NCID-ZINC01712262