MMsINC Database Search


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MMsINC code: MMs01706845

Type: Neutral
Formula: C₁₇H₁₇F₃N₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)NCc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C17H17F3N2O3S/c1-22(2)26(24,25)15-8-6-13(7-9-15)16(23)21-11-12-4-3-5-14(10-12)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)=58.5152 kcal/mol

Physical Properties
Molecular Weight: 386.394 g/mol	logS: -4.26902	SlogP: 3.4636	Reactive groups: 0

Topological Properties
Globularity: 0.0738798	Sterimol/B1: 2.17421	Sterimol/B2: 3.67614	Sterimol/B3: 4.78604
Sterimol/B4: 7.09477	Sterimol/L: 17.7217

Surface and Volume Properties
Accessible surface: 616.167	Positive charged surface: 320.586	Negative charged surface: 295.581	Volume: 323.5
Hydrophobic surface: 408.055	Hydrophilic surface: 208.112

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.