MMsINC Database Search


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MMsINC code: MMs01231036

Type: Neutral
Formula: C₁₄H₁₄FNO₃S

SMILES:

S(=O)(=O)(NCc1ccc(F)cc1)c1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.771 kcal/mol

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

Topological Properties
Globularity: 0.0984952	Sterimol/B1: 2.18714	Sterimol/B2: 2.87267	Sterimol/B3: 4.48347
Sterimol/B4: 6.83026	Sterimol/L: 16.0014

Surface and Volume Properties
Accessible surface: 513.733	Positive charged surface: 280.949	Negative charged surface: 232.783	Volume: 256.75
Hydrophobic surface: 420.05	Hydrophilic surface: 93.683

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.