MMsINC Database Search


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MMsINC code: MMs00208748

Type: Neutral
Formula: C₁₉H₁₆ClN₃O₃S

SMILES:

Clc1ccc(nc1)NS(=O)(=O)c1cc(ccc1C)C(=O)Nc1ccccc1

InChI:

InChI=1/C19H16ClN3O3S/c1-13-7-8-14(19(24)22-16-5-3-2-4-6-16)11-17(13)27(25,26)23-18-10-9-15(20)12-21-18/h2-12H,1H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7027 kcal/mol

Physical Properties
Molecular Weight: 401.874 g/mol	logS: -4.96459	SlogP: 4.09652	Reactive groups: 0

Topological Properties
Globularity: 0.102256	Sterimol/B1: 2.48811	Sterimol/B2: 3.15999	Sterimol/B3: 5.24531
Sterimol/B4: 9.88257	Sterimol/L: 16.4822

Surface and Volume Properties
Accessible surface: 622.793	Positive charged surface: 299.276	Negative charged surface: 323.517	Volume: 348.375
Hydrophobic surface: 507.399	Hydrophilic surface: 115.394

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.