MMsINC Database Search


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MMsINC code: MMs02314765

Type: Neutral
Formula: C₄H₄N₂O₂S

SMILES:

SC1=CNC(=O)NC1=O

InChI:

InChI=1/C4H4N2O2S/c7-3-2(9)1-5-4(8)6-3/h1,9H,(H2,5,6,7,8)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-7.74398 kcal/mol

Physical Properties
Molecular Weight: 144.154 g/mol	logS: -1.46706	SlogP: -0.403	Reactive groups: 0

Topological Properties
Globularity: 4.35134e-07	Sterimol/B1: 2.18464	Sterimol/B2: 2.18536	Sterimol/B3: 2.5329
Sterimol/B4: 4.98464	Sterimol/L: 9.45091

Surface and Volume Properties
Accessible surface: 277.489	Positive charged surface: 130.052	Negative charged surface: 147.436	Volume: 110.75
Hydrophobic surface: 66.6594	Hydrophilic surface: 210.8296

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.