MMsINC Database Search


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MMsINC code: MMs03843905

Type: Neutral
Formula: C₈H₈N₄O₂S₃

SMILES:

S1C(=NNC1=S)NS(=O)(=O)c1cc(N)ccc1

InChI:

InChI=1/C8H8N4O2S3/c9-5-2-1-3-6(4-5)17(13,14)12-7-10-11-8(15)16-7/h1-4H,9H2,(H,10,12)(H,11,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.80361 kcal/mol

Physical Properties
Molecular Weight: 288.376 g/mol	logS: -3.62052	SlogP: 0.4394	Reactive groups: 0

Topological Properties
Globularity: 0.142555	Sterimol/B1: 2.48511	Sterimol/B2: 3.24102	Sterimol/B3: 4.83666
Sterimol/B4: 6.64504	Sterimol/L: 13.6294

Surface and Volume Properties
Accessible surface: 452.377	Positive charged surface: 189.842	Negative charged surface: 262.534	Volume: 220.625
Hydrophobic surface: 127.846	Hydrophilic surface: 324.531

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: no related molecules available.