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MMsINC code: MMs02572389

Type: Neutral
Formula: C₁₅H₁₉FN₂O₂S

SMILES:

S(CC(=O)N1CCCCC1)CC(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C15H19FN2O2S/c16-12-4-6-13(7-5-12)17-14(19)10-21-11-15(20)18-8-2-1-3-9-18/h4-7H,1-3,8-11H2,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0013 kcal/mol

Physical Properties
Molecular Weight: 310.393 g/mol	logS: -3.69456	SlogP: 2.5099	Reactive groups: 0

Topological Properties
Globularity: 0.0206744	Sterimol/B1: 2.88096	Sterimol/B2: 3.00178	Sterimol/B3: 3.72135
Sterimol/B4: 4.79485	Sterimol/L: 19.0445

Surface and Volume Properties
Accessible surface: 567.754	Positive charged surface: 370.454	Negative charged surface: 197.3	Volume: 287.25
Hydrophobic surface: 463.469	Hydrophilic surface: 104.285

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.