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MMsINC code: MMs01529463

Type: Neutral
Formula: C₁₅H₁₂ClFN₂O₅S

SMILES:

Clc1cc(F)c(S(=O)(=O)Nc2ccc(cc2)C(=O)NCC(O)=O)cc1

InChI:

InChI=1/C15H12ClFN2O5S/c16-10-3-6-13(12(17)7-10)25(23,24)19-11-4-1-9(2-5-11)15(22)18-8-14(20)21/h1-7,19H,8H2,(H,18,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.9941 kcal/mol

Physical Properties
Molecular Weight: 386.787 g/mol	logS: -4.21796	SlogP: 2.0943	Reactive groups: 0

Topological Properties
Globularity: 0.13079	Sterimol/B1: 2.51673	Sterimol/B2: 2.80002	Sterimol/B3: 6.00984
Sterimol/B4: 7.64594	Sterimol/L: 15.369

Surface and Volume Properties
Accessible surface: 576.34	Positive charged surface: 259.533	Negative charged surface: 316.808	Volume: 303.875
Hydrophobic surface: 347.842	Hydrophilic surface: 228.498

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs01529464
ENAMINE-ZINC03888444