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MMsINC code: MMs02867853

Type: Ionized
Formula: C₁₄H₁₃FN₃O₅S₂-

SMILES:

S(=O)(=O)(NCC(=O)Nc1ccc(S(=O)([O-])=[NH])cc1)c1ccc(F)cc1

InChI:

InChI=1/C14H14FN3O5S2/c15-10-1-5-13(6-2-10)25(22,23)17-9-14(19)18-11-3-7-12(8-4-11)24(16,20)21/h1-8,17H,9H2,(H3,16,18,19,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.9955 kcal/mol

Physical Properties
Molecular Weight: 386.404 g/mol	logS: -3.76527	SlogP: 0.7143	Reactive groups: 0

Topological Properties
Globularity: 0.0822341	Sterimol/B1: 2.32642	Sterimol/B2: 4.47863	Sterimol/B3: 5.25313
Sterimol/B4: 5.2576	Sterimol/L: 16.4651

Surface and Volume Properties
Accessible surface: 595.225	Positive charged surface: 250.847	Negative charged surface: 344.378	Volume: 304.625
Hydrophobic surface: 360.579	Hydrophilic surface: 234.646

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

MMs02867852
PUBCHEM-ZINC02061585