MMsINC Database Search


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MMsINC code: MMs01613254

Type: Neutral
Formula: C₁₅H₁₃F₂NO₂S

SMILES:

S(C)c1ccccc1NC(=O)c1cc(OC(F)F)ccc1

InChI:

InChI=1/C15H13F2NO2S/c1-21-13-8-3-2-7-12(13)18-14(19)10-5-4-6-11(9-10)20-15(16)17/h2-9,15H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7462 kcal/mol

Physical Properties
Molecular Weight: 309.336 g/mol	logS: -4.51052	SlogP: 4.6821	Reactive groups: 0

Topological Properties
Globularity: 0.0170522	Sterimol/B1: 2.3572	Sterimol/B2: 2.56635	Sterimol/B3: 3.11189
Sterimol/B4: 7.58257	Sterimol/L: 15.7168

Surface and Volume Properties
Accessible surface: 517.477	Positive charged surface: 250.715	Negative charged surface: 266.761	Volume: 268.75
Hydrophobic surface: 366.693	Hydrophilic surface: 150.784

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.