MMsINC Database Search


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MMsINC code: MMs01527199

Type: Neutral
Formula: C₁₂H₁₀Cl₂N₂O₂S

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1N

InChI:

InChI=1/C12H10Cl2N2O2S/c13-9-6-5-8(7-11(9)15)19(17,18)16-12-4-2-1-3-10(12)14/h1-7,16H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.3241 kcal/mol

Physical Properties
Molecular Weight: 317.196 g/mol	logS: -4.23618	SlogP: 3.3764	Reactive groups: 0

Topological Properties
Globularity: 0.253862	Sterimol/B1: 3.12203	Sterimol/B2: 3.62905	Sterimol/B3: 5.11277
Sterimol/B4: 6.47823	Sterimol/L: 11.7483

Surface and Volume Properties
Accessible surface: 474.126	Positive charged surface: 192.044	Negative charged surface: 282.083	Volume: 252.875
Hydrophobic surface: 347.27	Hydrophilic surface: 126.856

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.