MMsINC Database Search


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MMsINC code: MMs00846845

Type: Ionized
Formula: C₁₁H₁₃FNO₄S-

SMILES:

S(=O)(=O)(N(CC)CC)c1cc(C(=O)[O-])c(F)cc1

InChI:

InChI=1/C11H14FNO4S/c1-3-13(4-2)18(16,17)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.729 kcal/mol

Physical Properties
Molecular Weight: 274.292 g/mol	logS: -2.47769	SlogP: 0.2197	Reactive groups: 0

Topological Properties
Globularity: 0.15687	Sterimol/B1: 2.38932	Sterimol/B2: 2.56356	Sterimol/B3: 5.60801
Sterimol/B4: 6.45504	Sterimol/L: 13.0094

Surface and Volume Properties
Accessible surface: 441.094	Positive charged surface: 218.565	Negative charged surface: 222.529	Volume: 233.875
Hydrophobic surface: 262.131	Hydrophilic surface: 178.963

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs00846844
CHEMDIV-ZINC00257556