MMsINC Database Search


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MMsINC code: MMs03686167

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.527 kcal/mol

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

Topological Properties
Globularity: 0.0798375	Sterimol/B1: 2.93541	Sterimol/B2: 3.44725	Sterimol/B3: 3.67425
Sterimol/B4: 4.16433	Sterimol/L: 11.8325

Surface and Volume Properties
Accessible surface: 368.091	Positive charged surface: 206.657	Negative charged surface: 161.433	Volume: 162.125
Hydrophobic surface: 124.383	Hydrophilic surface: 243.708

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.