MMsINC Database Search


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MMsINC code: MMs02185477

Type: Neutral
Formula: C₁₀H₄Br₄O₄S

SMILES:

Brc1c(Br)c(Br)c2c(c1Br)c(S(O)(=O)=O)cc(O)c2

InChI:

InChI=1/C10H4Br4O4S/c11-7-4-1-3(15)2-5(19(16,17)18)6(4)8(12)10(14)9(7)13/h1-2,15H,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.679 kcal/mol

Physical Properties
Molecular Weight: 539.82 g/mol	logS: -7.31244	SlogP: 4.2764	Reactive groups: 0

Topological Properties
Globularity: 0.0284959	Sterimol/B1: 2.91157	Sterimol/B2: 3.15465	Sterimol/B3: 3.20338
Sterimol/B4: 7.73043	Sterimol/L: 12.6739

Surface and Volume Properties
Accessible surface: 480.609	Positive charged surface: 109.293	Negative charged surface: 360.746	Volume: 276.5
Hydrophobic surface: 335.758	Hydrophilic surface: 144.851

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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: 0

search links for this molecule:

Ions/Tautomers related molecules

MMs02185478
MDPI-ZINC04266029