MMsINC Database Search


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MMsINC code: MMs01466040

Type: Neutral
Formula: C₁₇H₁₇FN₂O₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1cc(C(=O)Nc2ccccc2)c(F)cc1

InChI:

InChI=1/C17H17FN2O4S/c18-16-7-6-14(25(22,23)20-8-10-24-11-9-20)12-15(16)17(21)19-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.1274 kcal/mol

Physical Properties
Molecular Weight: 364.397 g/mol	logS: -3.85489	SlogP: 2.0989	Reactive groups: 0

Topological Properties
Globularity: 0.0632767	Sterimol/B1: 3.21961	Sterimol/B2: 3.74119	Sterimol/B3: 4.3693
Sterimol/B4: 7.44145	Sterimol/L: 16.7479

Surface and Volume Properties
Accessible surface: 572.995	Positive charged surface: 343.172	Negative charged surface: 229.823	Volume: 313.375
Hydrophobic surface: 471.385	Hydrophilic surface: 101.61

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.