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MMsINC code: MMs02843458

Type: Neutral
Formula: C₈H₈Cl₃N₃O₄S₂

SMILES:

ClC(=C(Cl)Cl)c1cc(N)c(S(=O)(=O)N)cc1S(=O)(=O)N

InChI:

InChI=1/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.7104 kcal/mol

Physical Properties
Molecular Weight: 380.66 g/mol	logS: -4.52126	SlogP: 1.015	Reactive groups: 0

Topological Properties
Globularity: 0.119035	Sterimol/B1: 2.95077	Sterimol/B2: 3.24255	Sterimol/B3: 4.60343
Sterimol/B4: 6.29282	Sterimol/L: 12.6647

Surface and Volume Properties
Accessible surface: 479.924	Positive charged surface: 164.45	Negative charged surface: 315.475	Volume: 254.375
Hydrophobic surface: 205.234	Hydrophilic surface: 274.69

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02843459
PUBCHEM-ZINC02001200