MMsINC Database Search


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MMsINC code: MMs03686166

Type: Neutral
Formula: C₅H₁₀FNO₂S₂

SMILES:

S(SCCF)CC(N)C(O)=O

InChI:

InChI=1/C5H10FNO2S2/c6-1-2-10-11-3-4(7)5(8)9/h4H,1-3,7H2,(H,8,9)/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.5333 kcal/mol

Physical Properties
Molecular Weight: 199.27 g/mol	logS: -1.69711	SlogP: 0.7492	Reactive groups: 1

Topological Properties
Globularity: 0.0916868	Sterimol/B1: 3.0682	Sterimol/B2: 3.11345	Sterimol/B3: 3.50835
Sterimol/B4: 3.8143	Sterimol/L: 12.0475

Surface and Volume Properties
Accessible surface: 366.637	Positive charged surface: 215.819	Negative charged surface: 150.819	Volume: 163
Hydrophobic surface: 134.507	Hydrophilic surface: 232.13

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.