MMsINC Database Search


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MMsINC code: MMs01710063

Type: Neutral
Formula: C₁₇H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(NCC(=O)NCc1ccc(F)cc1)c1cc(C)c(cc1)C

InChI:

InChI=1/C17H19FN2O3S/c1-12-3-8-16(9-13(12)2)24(22,23)20-11-17(21)19-10-14-4-6-15(18)7-5-14/h3-9,20H,10-11H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.8231 kcal/mol

Physical Properties
Molecular Weight: 350.414 g/mol	logS: -4.40615	SlogP: 2.30364	Reactive groups: 0

Topological Properties
Globularity: 0.0756029	Sterimol/B1: 2.54974	Sterimol/B2: 2.78431	Sterimol/B3: 4.97445
Sterimol/B4: 7.69639	Sterimol/L: 16.8319

Surface and Volume Properties
Accessible surface: 609.338	Positive charged surface: 330.555	Negative charged surface: 278.783	Volume: 318
Hydrophobic surface: 470.826	Hydrophilic surface: 138.512

Pharmacophoric Properties
Hydrogen bond donors: 2	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.