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MMsINC code: MMs02367033

Type: Neutral
Formula: C₅H₇NO₄S₂

SMILES:

S(CC(O)=O)C(=S)NCC(O)=O

InChI:

InChI=1/C5H7NO4S2/c7-3(8)1-6-5(11)12-2-4(9)10/h1-2H2,(H,6,11)(H,7,8)(H,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.4632 kcal/mol

Physical Properties
Molecular Weight: 209.246 g/mol	logS: -2.03759	SlogP: -0.2367	Reactive groups: 0

Topological Properties
Globularity: 0.0142185	Sterimol/B1: 2.37485	Sterimol/B2: 2.37557	Sterimol/B3: 3.66967
Sterimol/B4: 3.84994	Sterimol/L: 14.2921

Surface and Volume Properties
Accessible surface: 375.834	Positive charged surface: 189.512	Negative charged surface: 186.322	Volume: 162.5
Hydrophobic surface: 61.5853	Hydrophilic surface: 314.2487

Pharmacophoric Properties
Hydrogen bond donors: 5	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

MMs02367034
NCID-ZINC01760551