MMsINC Database Search


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MMsINC code: MMs00829319

Type: Neutral
Formula: C₁₂H₁₀Cl₂N₂O₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1ncccc1C

InChI:

InChI=1/C12H10Cl2N2O2S/c1-8-3-2-6-15-12(8)16-19(17,18)11-7-9(13)4-5-10(11)14/h2-7H,1H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.8572 kcal/mol

Physical Properties
Molecular Weight: 317.196 g/mol	logS: -3.72889	SlogP: 3.49762	Reactive groups: 0

Topological Properties
Globularity: 0.171351	Sterimol/B1: 3.39456	Sterimol/B2: 3.54768	Sterimol/B3: 4.94905
Sterimol/B4: 6.09081	Sterimol/L: 12.3051

Surface and Volume Properties
Accessible surface: 473.97	Positive charged surface: 198.884	Negative charged surface: 275.086	Volume: 254.5
Hydrophobic surface: 402.834	Hydrophilic surface: 71.136

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.