MMsINC Database Search


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MMsINC code: MMs02318335

Type: Neutral
Formula: C₅H₆N₂O₂S

SMILES:

S(C)C1=CNC(=O)NC1=O

InChI:

InChI=1/C5H6N2O2S/c1-10-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.67715 kcal/mol

Physical Properties
Molecular Weight: 158.181 g/mol	logS: -1.47048	SlogP: 0.0302	Reactive groups: 0

Topological Properties
Globularity: 0.0200475	Sterimol/B1: 2.37475	Sterimol/B2: 2.37524	Sterimol/B3: 3.66431
Sterimol/B4: 4.30491	Sterimol/L: 10.5035

Surface and Volume Properties
Accessible surface: 311.095	Positive charged surface: 155.011	Negative charged surface: 156.084	Volume: 128.375
Hydrophobic surface: 109.318	Hydrophilic surface: 201.777

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.