MMsINC Database Search


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MMsINC code: MMs01654194

Type: Neutral
Formula: C₂₀H₂₃FN₂O₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1ccc(cc1)CCC(=O)Nc1ccc(F)cc1C

InChI:

InChI=1/C20H23FN2O4S/c1-15-14-17(21)5-8-19(15)22-20(24)9-4-16-2-6-18(7-3-16)28(25,26)23-10-12-27-13-11-23/h2-3,5-8,14H,4,9-13H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.8565 kcal/mol

Physical Properties
Molecular Weight: 406.478 g/mol	logS: -3.95875	SlogP: 2.72629	Reactive groups: 0

Topological Properties
Globularity: 0.033633	Sterimol/B1: 2.10788	Sterimol/B2: 3.53124	Sterimol/B3: 4.33194
Sterimol/B4: 6.57156	Sterimol/L: 20.8733

Surface and Volume Properties
Accessible surface: 664.018	Positive charged surface: 414.025	Negative charged surface: 249.993	Volume: 365.625
Hydrophobic surface: 566.067	Hydrophilic surface: 97.951

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.