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MMsINC code: MMs01146581

Type: Neutral
Formula: C₁₈H₁₇FN₂O₂S

SMILES:

S1CC(=O)N(c2c1cccc2)CCCC(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C18H17FN2O2S/c19-13-7-9-14(10-8-13)20-17(22)6-3-11-21-15-4-1-2-5-16(15)24-12-18(21)23/h1-2,4-5,7-10H,3,6,11-12H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5889 kcal/mol

Physical Properties
Molecular Weight: 344.41 g/mol	logS: -5.02632	SlogP: 3.6833	Reactive groups: 0

Topological Properties
Globularity: 0.0658696	Sterimol/B1: 2.46656	Sterimol/B2: 2.87127	Sterimol/B3: 4.58588
Sterimol/B4: 7.33633	Sterimol/L: 17.3369

Surface and Volume Properties
Accessible surface: 583.157	Positive charged surface: 326.388	Negative charged surface: 256.769	Volume: 312.125
Hydrophobic surface: 468.2	Hydrophilic surface: 114.957

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.