MMsINC Database Search


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MMsINC code: MMs02098070

Type: Neutral
Formula: C₁₇H₁₆F₃NO₄S

SMILES:

S(=O)(=O)(CC(O)(C(=O)Nc1cc(ccc1)C(F)(F)F)C)c1ccccc1

InChI:

InChI=1/C17H16F3NO4S/c1-16(23,11-26(24,25)14-8-3-2-4-9-14)15(22)21-13-7-5-6-12(10-13)17(18,19)20/h2-10,23H,11H2,1H3,(H,21,22)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.331 kcal/mol

Physical Properties
Molecular Weight: 387.378 g/mol	logS: -4.70322	SlogP: 3.1803	Reactive groups: 0

Topological Properties
Globularity: 0.0955031	Sterimol/B1: 2.14784	Sterimol/B2: 3.81906	Sterimol/B3: 4.42289
Sterimol/B4: 6.5793	Sterimol/L: 17.7134

Surface and Volume Properties
Accessible surface: 593.761	Positive charged surface: 259.049	Negative charged surface: 334.712	Volume: 314.5
Hydrophobic surface: 371.11	Hydrophilic surface: 222.651

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.