MMsINC Database Search


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MMsINC code: MMs01589800

Type: Neutral
Formula: C₁₆H₁₆FNO₄S

SMILES:

S(=O)(=O)(NCCc1ccc(F)cc1)c1cc2OCCOc2cc1

InChI:

InChI=1/C16H16FNO4S/c17-13-3-1-12(2-4-13)7-8-18-23(19,20)14-5-6-15-16(11-14)22-10-9-21-15/h1-6,11,18H,7-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.8132 kcal/mol

Physical Properties
Molecular Weight: 337.371 g/mol	logS: -3.59681	SlogP: 2.11787	Reactive groups: 0

Topological Properties
Globularity: 0.0940344	Sterimol/B1: 3.23553	Sterimol/B2: 4.46128	Sterimol/B3: 4.85056
Sterimol/B4: 6.12296	Sterimol/L: 14.2387

Surface and Volume Properties
Accessible surface: 557.106	Positive charged surface: 325.652	Negative charged surface: 231.454	Volume: 290.375
Hydrophobic surface: 453.401	Hydrophilic surface: 103.705

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.