MMsINC Database Search


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MMsINC code: MMs03201937

Type: Neutral
Formula: C₅H₁₀FNO₂S

SMILES:

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

InChI:

InChI=1/C5H10FNO2S/c6-1-2-10-3-4(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)=32.6347 kcal/mol

Physical Properties
Molecular Weight: 167.204 g/mol	logS: -0.59331	SlogP: 0.101	Reactive groups: 1

Topological Properties
Globularity: 0.0714483	Sterimol/B1: 2.84545	Sterimol/B2: 3.01109	Sterimol/B3: 3.26211
Sterimol/B4: 3.74441	Sterimol/L: 11.7382

Surface and Volume Properties
Accessible surface: 348.149	Positive charged surface: 223.43	Negative charged surface: 124.719	Volume: 145.125
Hydrophobic surface: 140.817	Hydrophilic surface: 207.332

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.