MMsINC Database Search


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MMsINC code: MMs03711363

Type: Neutral
Formula: C₂₀H₁₇ClN₂O₄S

SMILES:

Clc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC)cc2)ccc1

InChI:

InChI=1/C20H17ClN2O4S/c1-27-19-8-3-2-7-18(19)20(24)22-15-9-11-17(12-10-15)28(25,26)23-16-6-4-5-14(21)13-16/h2-13,23H,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0858 kcal/mol

Physical Properties
Molecular Weight: 416.885 g/mol	logS: -5.80138	SlogP: 4.4017	Reactive groups: 0

Topological Properties
Globularity: 0.106638	Sterimol/B1: 3.48859	Sterimol/B2: 3.53259	Sterimol/B3: 6.19407
Sterimol/B4: 7.2475	Sterimol/L: 16.1267

Surface and Volume Properties
Accessible surface: 654.244	Positive charged surface: 344.378	Negative charged surface: 309.866	Volume: 359.875
Hydrophobic surface: 538.835	Hydrophilic surface: 115.409

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.