MMsINC Database Search


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MMsINC code: MMs03235362

Type: Neutral
Formula: C₅H₁₀N₂O₂S

SMILES:

SCC(NC(=O)C)C(=O)N

InChI:

InChI=1/C5H10N2O2S/c1-3(8)7-4(2-10)5(6)9/h4,10H,2H2,1H3,(H2,6,9)(H,7,8)/t4-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.5568 kcal/mol

Physical Properties
Molecular Weight: 162.213 g/mol	logS: -1.03749	SlogP: -1.0938	Reactive groups: 1

Topological Properties
Globularity: 0.102281	Sterimol/B1: 2.89918	Sterimol/B2: 3.15619	Sterimol/B3: 3.3639
Sterimol/B4: 5.44324	Sterimol/L: 10.3371

Surface and Volume Properties
Accessible surface: 336.946	Positive charged surface: 215.068	Negative charged surface: 121.878	Volume: 143.875
Hydrophobic surface: 159.529	Hydrophilic surface: 177.417

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.