MMsINC Database Search


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MMsINC code: MMs01711309

Type: Neutral
Formula: C₁₉H₂₀FNO₅S

SMILES:

S(=O)(=O)(N1CCOCC1)c1cc(ccc1F)C(Oc1ccc(cc1)CC)=O

InChI:

InChI=1/C19H20FNO5S/c1-2-14-3-6-16(7-4-14)26-19(22)15-5-8-17(20)18(13-15)27(23,24)21-9-11-25-12-10-21/h3-8,13H,2,9-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.3183 kcal/mol

Physical Properties
Molecular Weight: 393.435 g/mol	logS: -4.9881	SlogP: 2.62817	Reactive groups: 0

Topological Properties
Globularity: 0.0384768	Sterimol/B1: 3.80259	Sterimol/B2: 4.07306	Sterimol/B3: 4.55337
Sterimol/B4: 5.34919	Sterimol/L: 20.4585

Surface and Volume Properties
Accessible surface: 633.491	Positive charged surface: 395.267	Negative charged surface: 238.224	Volume: 346.5
Hydrophobic surface: 510.702	Hydrophilic surface: 122.789

Pharmacophoric Properties
Hydrogen bond donors: 0	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.