MMsINC Database Search


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MMsINC code: MMs00522313

Type: Neutral
Formula: C₁₇H₁₈FNO₆S

SMILES:

S(=O)(=O)(Nc1cccc(F)c1C)c1cc(OC)c(cc1OC)C(OC)=O

InChI:

InChI=1/C17H18FNO6S/c1-10-12(18)6-5-7-13(10)19-26(21,22)16-9-14(23-2)11(17(20)25-4)8-15(16)24-3/h5-9,19H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.0734 kcal/mol

Physical Properties
Molecular Weight: 383.396 g/mol	logS: -3.98466	SlogP: 2.73872	Reactive groups: 0

Topological Properties
Globularity: 0.258851	Sterimol/B1: 3.62297	Sterimol/B2: 3.9125	Sterimol/B3: 6.11985
Sterimol/B4: 8.22048	Sterimol/L: 13.5546

Surface and Volume Properties
Accessible surface: 580.171	Positive charged surface: 392.73	Negative charged surface: 187.441	Volume: 328.625
Hydrophobic surface: 468.026	Hydrophilic surface: 112.145

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.