MMsINC Database Search


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MMsINC code: MMs01589585

Type: Neutral
Formula: C₁₆H₁₆FNO₄S

SMILES:

S(=O)(=O)(N(Cc1ccc(F)cc1)C)c1cc2OCCOc2cc1

InChI:

InChI=1/C16H16FNO4S/c1-18(11-12-2-4-13(17)5-3-12)23(19,20)14-6-7-15-16(10-14)22-9-8-21-15/h2-7,10H,8-9,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.9269 kcal/mol

Physical Properties
Molecular Weight: 337.371 g/mol	logS: -3.61092	SlogP: 2.684	Reactive groups: 0

Topological Properties
Globularity: 0.0496826	Sterimol/B1: 1.969	Sterimol/B2: 3.50764	Sterimol/B3: 4.04667
Sterimol/B4: 6.31279	Sterimol/L: 17.3334

Surface and Volume Properties
Accessible surface: 537.595	Positive charged surface: 335.233	Negative charged surface: 202.362	Volume: 291.125
Hydrophobic surface: 465.781	Hydrophilic surface: 71.814

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.