MMsINC Database Search


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MMsINC code: MMs00846301

Type: Neutral
Formula: C₁₅H₁₄FNO₄S

SMILES:

S(=O)(=O)(CC)c1cc(O)c(NC(=O)c2ccc(F)cc2)cc1

InChI:

InChI=1/C15H14FNO4S/c1-2-22(20,21)12-7-8-13(14(18)9-12)17-15(19)10-3-5-11(16)6-4-10/h3-9,18H,2H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.9125 kcal/mol

Physical Properties
Molecular Weight: 323.344 g/mol	logS: -3.7558	SlogP: 2.5772	Reactive groups: 0

Topological Properties
Globularity: 0.0336997	Sterimol/B1: 2.49067	Sterimol/B2: 3.47686	Sterimol/B3: 4.24635
Sterimol/B4: 4.76896	Sterimol/L: 17.8095

Surface and Volume Properties
Accessible surface: 535.535	Positive charged surface: 272.523	Negative charged surface: 263.011	Volume: 275.75
Hydrophobic surface: 375.151	Hydrophilic surface: 160.384

Pharmacophoric Properties
Hydrogen bond donors: 2	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.