MMsINC Database Search


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MMsINC code: MMs01509475

Type: Neutral
Formula: C₁₇H₁₆FNO₅S

SMILES:

S(=O)(=O)(N1CCOCC1)c1cc(ccc1F)C(Oc1ccccc1)=O

InChI:

InChI=1/C17H16FNO5S/c18-15-7-6-13(17(20)24-14-4-2-1-3-5-14)12-16(15)25(21,22)19-8-10-23-11-9-19/h1-7,12H,8-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5347 kcal/mol

Physical Properties
Molecular Weight: 365.381 g/mol	logS: -3.99896	SlogP: 2.0658	Reactive groups: 0

Topological Properties
Globularity: 0.0563704	Sterimol/B1: 3.56872	Sterimol/B2: 3.89912	Sterimol/B3: 3.90212
Sterimol/B4: 6.13014	Sterimol/L: 17.9292

Surface and Volume Properties
Accessible surface: 581.384	Positive charged surface: 346.705	Negative charged surface: 234.679	Volume: 309.625
Hydrophobic surface: 483.066	Hydrophilic surface: 98.318

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.