MMsINC Database Search


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MMsINC code: MMs00504420

Type: Neutral
Formula: C₁₄H₁₄FNO₃S

SMILES:

S(=O)(=O)(NCc1ccccc1)c1cc(F)ccc1OC

InChI:

InChI=1/C14H14FNO3S/c1-19-13-8-7-12(15)9-14(13)20(17,18)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.8837 kcal/mol

Physical Properties
Molecular Weight: 295.334 g/mol	logS: -3.33612	SlogP: 2.5792	Reactive groups: 0

Topological Properties
Globularity: 0.142936	Sterimol/B1: 1.99536	Sterimol/B2: 3.76461	Sterimol/B3: 4.92133
Sterimol/B4: 7.518	Sterimol/L: 14.2407

Surface and Volume Properties
Accessible surface: 498.769	Positive charged surface: 261.731	Negative charged surface: 237.038	Volume: 258.625
Hydrophobic surface: 416.978	Hydrophilic surface: 81.791

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.