MMsINC Database Search


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MMsINC code: MMs01520362

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₄S

SMILES:

Clc1ccc(cc1S(=O)(=O)N(C)c1ccc(Cl)cc1)C(=O)NCc1occc1

InChI:

InChI=1/C19H16Cl2N2O4S/c1-23(15-7-5-14(20)6-8-15)28(25,26)18-11-13(4-9-17(18)21)19(24)22-12-16-3-2-10-27-16/h2-11H,12H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.0705 kcal/mol

Physical Properties
Molecular Weight: 439.319 g/mol	logS: -6.25648	SlogP: 4.6079	Reactive groups: 0

Topological Properties
Globularity: 0.0597841	Sterimol/B1: 3.06619	Sterimol/B2: 3.6527	Sterimol/B3: 4.77031
Sterimol/B4: 8.78938	Sterimol/L: 17.8905

Surface and Volume Properties
Accessible surface: 646.54	Positive charged surface: 277.37	Negative charged surface: 369.171	Volume: 363.375
Hydrophobic surface: 531.777	Hydrophilic surface: 114.763

Pharmacophoric Properties
Hydrogen bond donors: 1	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.