MMsINC Database Search


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MMsINC code: MMs00246253

Type: Neutral
Formula: C₁₉H₂₁FN₂O₃S

SMILES:

S(=O)(=O)(N1CCCC1)c1cc(ccc1C)C(=O)NCc1ccccc1F

InChI:

InChI=1/C19H21FN2O3S/c1-14-8-9-15(12-18(14)26(24,25)22-10-4-5-11-22)19(23)21-13-16-6-2-3-7-17(16)20/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0257 kcal/mol

Physical Properties
Molecular Weight: 376.452 g/mol	logS: -4.2203	SlogP: 3.11502	Reactive groups: 0

Topological Properties
Globularity: 0.07881	Sterimol/B1: 2.52025	Sterimol/B2: 3.84228	Sterimol/B3: 4.97966
Sterimol/B4: 6.32316	Sterimol/L: 17.8982

Surface and Volume Properties
Accessible surface: 606.729	Positive charged surface: 352.312	Negative charged surface: 254.417	Volume: 339.5
Hydrophobic surface: 503.049	Hydrophilic surface: 103.68

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.