MMsINC Database Search


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MMsINC code: MMs00205085

Type: Neutral
Formula: C₁₇H₁₇F₃N₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1C)C

InChI:

InChI=1/C17H17F3N2O3S/c1-12-7-3-6-10-15(12)22(26(2,24)25)11-16(23)21-14-9-5-4-8-13(14)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.065 kcal/mol

Physical Properties
Molecular Weight: 386.394 g/mol	logS: -4.51189	SlogP: 3.73002	Reactive groups: 0

Topological Properties
Globularity: 0.126973	Sterimol/B1: 2.45111	Sterimol/B2: 3.7304	Sterimol/B3: 5.97123
Sterimol/B4: 6.39386	Sterimol/L: 14.19

Surface and Volume Properties
Accessible surface: 573.609	Positive charged surface: 258.23	Negative charged surface: 315.38	Volume: 320.25
Hydrophobic surface: 405.166	Hydrophilic surface: 168.443

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.