MMsINC Database Search


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MMsINC code: MMs00831960

Type: Neutral
Formula: C₁₆H₁₄FNO₄S

SMILES:

S(=O)(=O)(N1Cc2c(CC1C(O)=O)cccc2)c1ccc(F)cc1

InChI:

InChI=1/C16H14FNO4S/c17-13-5-7-14(8-6-13)23(21,22)18-10-12-4-2-1-3-11(12)9-15(18)16(19)20/h1-8,15H,9-10H2,(H,19,20)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.695 kcal/mol

Physical Properties
Molecular Weight: 335.355 g/mol	logS: -3.54103	SlogP: 2.29227	Reactive groups: 0

Topological Properties
Globularity: 0.291054	Sterimol/B1: 2.8792	Sterimol/B2: 4.35149	Sterimol/B3: 6.12506
Sterimol/B4: 6.70776	Sterimol/L: 12.2421

Surface and Volume Properties
Accessible surface: 497.88	Positive charged surface: 259.73	Negative charged surface: 238.15	Volume: 280.25
Hydrophobic surface: 378.15	Hydrophilic surface: 119.73

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00831961
CHEMDIV-ZINC00090566