MMsINC Database Search


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MMsINC code: MMs00065325

Type: Ionized
Formula: C₁₃H₁₀FN₂O₃S-

SMILES:

S(=O)([O-])(=[NH])c1ccc(NC(=O)c2ccc(F)cc2)cc1

InChI:

InChI=1/C13H11FN2O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,(H3,15,16,17,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.4157 kcal/mol

Physical Properties
Molecular Weight: 293.298 g/mol	logS: -3.90085	SlogP: 2.0496	Reactive groups: 0

Topological Properties
Globularity: 0.0272708	Sterimol/B1: 2.50132	Sterimol/B2: 2.68408	Sterimol/B3: 3.72876
Sterimol/B4: 5.05368	Sterimol/L: 16.2963

Surface and Volume Properties
Accessible surface: 483.769	Positive charged surface: 201.511	Negative charged surface: 282.257	Volume: 245.875
Hydrophobic surface: 340.983	Hydrophilic surface: 142.786

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 3	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:

MMs00065324
ASINEX-ZINC00051779