MMsINC Database Search


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MMsINC code: MMs01723989

Type: Neutral
Formula: C₁₃H₁₁FN₂O₃S

SMILES:

S(=O)(=O)(N)c1cc(NC(=O)c2ccc(F)cc2)ccc1

InChI:

InChI=1/C13H11FN2O3S/c14-10-6-4-9(5-7-10)13(17)16-11-2-1-3-12(8-11)20(15,18)19/h1-8H,(H,16,17)(H2,15,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.0051 kcal/mol

Physical Properties
Molecular Weight: 294.306 g/mol	logS: -3.87646	SlogP: 1.7254	Reactive groups: 0

Topological Properties
Globularity: 0.0447496	Sterimol/B1: 2.097	Sterimol/B2: 2.54307	Sterimol/B3: 3.97067
Sterimol/B4: 6.43303	Sterimol/L: 15.7428

Surface and Volume Properties
Accessible surface: 493.203	Positive charged surface: 232.274	Negative charged surface: 260.93	Volume: 241.875
Hydrophobic surface: 325.069	Hydrophilic surface: 168.134

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules

MMs01723990
ENAMINE-ZINC07166540