MMsINC Database Search


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MMsINC code: MMs01371494

Type: Neutral
Formula: C₁₆H₁₆FNO₄S

SMILES:

S(=O)(=O)(NCCOc1ccccc1F)c1cc(ccc1)C(=O)C

InChI:

InChI=1/C16H16FNO4S/c1-12(19)13-5-4-6-14(11-13)23(20,21)18-9-10-22-16-8-3-2-7-15(16)17/h2-8,11,18H,9-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.0917 kcal/mol

Physical Properties
Molecular Weight: 337.371 g/mol	logS: -3.67483	SlogP: 2.3856	Reactive groups: 0

Topological Properties
Globularity: 0.121526	Sterimol/B1: 2.24798	Sterimol/B2: 4.17336	Sterimol/B3: 4.40584
Sterimol/B4: 7.66652	Sterimol/L: 17.0466

Surface and Volume Properties
Accessible surface: 569.639	Positive charged surface: 297.318	Negative charged surface: 272.321	Volume: 297.25
Hydrophobic surface: 447.403	Hydrophilic surface: 122.236

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.