MMsINC Database Search


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MMsINC code: MMs03537053

Type: Neutral
Formula: C₆H₉ClN₄O₄S₂

SMILES:

Clc1cc(NN)c(S(=O)(=O)N)cc1S(=O)(=O)N

InChI:

InChI=1/C6H9ClN4O4S2/c7-3-1-4(11-8)6(17(10,14)15)2-5(3)16(9,12)13/h1-2,11H,8H2,(H2,9,12,13)(H2,10,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=3.13014 kcal/mol

Physical Properties
Molecular Weight: 300.747 g/mol	logS: -2.2732	SlogP: -1.0796	Reactive groups: 0

Topological Properties
Globularity: 0.0774234	Sterimol/B1: 2.8373	Sterimol/B2: 3.39682	Sterimol/B3: 3.58829
Sterimol/B4: 6.57976	Sterimol/L: 11.4752

Surface and Volume Properties
Accessible surface: 434.088	Positive charged surface: 192.66	Negative charged surface: 241.428	Volume: 208.125
Hydrophobic surface: 109.505	Hydrophilic surface: 324.583

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs03537054
PUBCHEM-ZINC06091083