MMsINC Database Search


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MMsINC code: MMs00196938

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₄S

SMILES:

Clc1ccc(cc1)C(=O)Nc1ccc(S(=O)(=O)NC(=O)CC)cc1

InChI:

InChI=1/C16H15ClN2O4S/c1-2-15(20)19-24(22,23)14-9-7-13(8-10-14)18-16(21)11-3-5-12(17)6-4-11/h3-10H,2H2,1H3,(H,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.864 kcal/mol

Physical Properties
Molecular Weight: 366.825 g/mol	logS: -4.72347	SlogP: 2.8072	Reactive groups: 0

Topological Properties
Globularity: 0.0433535	Sterimol/B1: 2.09679	Sterimol/B2: 3.03613	Sterimol/B3: 4.1934
Sterimol/B4: 7.59124	Sterimol/L: 18.5329

Surface and Volume Properties
Accessible surface: 598.023	Positive charged surface: 285.262	Negative charged surface: 312.761	Volume: 309.75
Hydrophobic surface: 436.379	Hydrophilic surface: 161.644

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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: no related molecules available.