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MMsINC code: MMs03160385

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₅S

SMILES:

Clc1cc(N(S(=O)(=O)C)CC(=O)Nc2ccccc2C(O)=O)ccc1

InChI:

InChI=1/C16H15ClN2O5S/c1-25(23,24)19(12-6-4-5-11(17)9-12)10-15(20)18-14-8-3-2-7-13(14)16(21)22/h2-9H,10H2,1H3,(H,18,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9257 kcal/mol

Physical Properties
Molecular Weight: 382.824 g/mol	logS: -3.99856	SlogP: 2.4429	Reactive groups: 0

Topological Properties
Globularity: 0.211161	Sterimol/B1: 2.48373	Sterimol/B2: 3.31072	Sterimol/B3: 5.61403
Sterimol/B4: 8.39693	Sterimol/L: 13.5851

Surface and Volume Properties
Accessible surface: 587.417	Positive charged surface: 292.103	Negative charged surface: 295.314	Volume: 318.375
Hydrophobic surface: 423.096	Hydrophilic surface: 164.321

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

MMs03160386
PUBCHEM-ZINC04701876