MMsINC Database Search


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MMsINC code: MMs00846231

Type: Neutral
Formula: C₁₅H₁₆FNO₄S

SMILES:

S(=O)(=O)(NCc1ccc(F)cc1)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C15H16FNO4S/c1-20-14-8-7-13(9-15(14)21-2)22(18,19)17-10-11-3-5-12(16)6-4-11/h3-9,17H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.5415 kcal/mol

Physical Properties
Molecular Weight: 325.36 g/mol	logS: -3.3865	SlogP: 2.5878	Reactive groups: 0

Topological Properties
Globularity: 0.127065	Sterimol/B1: 2.28382	Sterimol/B2: 2.68827	Sterimol/B3: 6.14417
Sterimol/B4: 7.03031	Sterimol/L: 16.1818

Surface and Volume Properties
Accessible surface: 550.97	Positive charged surface: 334.512	Negative charged surface: 216.458	Volume: 283.125
Hydrophobic surface: 451.297	Hydrophilic surface: 99.673

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.