MMsINC Database Search


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MMsINC code: MMs01634013

Type: Neutral
Formula: C₁₂H₁₀Cl₂N₂O₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N(C)c1ncccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4858 kcal/mol

Physical Properties
Molecular Weight: 317.196 g/mol	logS: -3.644	SlogP: 3.2135	Reactive groups: 0

Topological Properties
Globularity: 0.149887	Sterimol/B1: 2.19824	Sterimol/B2: 3.31831	Sterimol/B3: 4.00635
Sterimol/B4: 7.86542	Sterimol/L: 12.1772

Surface and Volume Properties
Accessible surface: 466.996	Positive charged surface: 213.661	Negative charged surface: 253.335	Volume: 253.125
Hydrophobic surface: 408.277	Hydrophilic surface: 58.719

Pharmacophoric Properties
Hydrogen bond donors: 0	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.