MMsINC Database Search


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MMsINC code: MMs02763349

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₄S

SMILES:

Clc1ccc(cc1S(=O)(=O)Nc1ccccc1)C(=O)NCc1occc1

InChI:

InChI=1/C18H15ClN2O4S/c19-16-9-8-13(18(22)20-12-15-7-4-10-25-15)11-17(16)26(23,24)21-14-5-2-1-3-6-14/h1-11,21H,12H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.9702 kcal/mol

Physical Properties
Molecular Weight: 390.847 g/mol	logS: -5.44661	SlogP: 3.9302	Reactive groups: 0

Topological Properties
Globularity: 0.108115	Sterimol/B1: 2.54176	Sterimol/B2: 3.55022	Sterimol/B3: 4.67138
Sterimol/B4: 8.24208	Sterimol/L: 15.8972

Surface and Volume Properties
Accessible surface: 609.721	Positive charged surface: 282.868	Negative charged surface: 326.853	Volume: 332.125
Hydrophobic surface: 475.504	Hydrophilic surface: 134.217

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.