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MMsINC code: MMs02867852

Type: Neutral
Formula: C₁₄H₁₄FN₃O₅S₂

SMILES:

S(=O)(=O)(NCC(=O)Nc1ccc(S(=O)(=O)N)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,(H,18,19)(H2,16,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.3409 kcal/mol

Physical Properties
Molecular Weight: 387.412 g/mol	logS: -3.74088	SlogP: 0.3901	Reactive groups: 0

Topological Properties
Globularity: 0.0463465	Sterimol/B1: 2.61664	Sterimol/B2: 3.70473	Sterimol/B3: 4.05847
Sterimol/B4: 6.33106	Sterimol/L: 18.3695

Surface and Volume Properties
Accessible surface: 594.043	Positive charged surface: 279.754	Negative charged surface: 314.29	Volume: 304.25
Hydrophobic surface: 330.875	Hydrophilic surface: 263.168

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

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Ions/Tautomers related molecules

MMs02867853
PUBCHEM-ZINC02061585