MMsINC Database Search


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MMsINC code: MMs01527198

Type: Neutral
Formula: C₁₂H₁₀Cl₂N₂O₂S

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.0218 kcal/mol

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

Topological Properties
Globularity: 0.23538	Sterimol/B1: 2.51534	Sterimol/B2: 4.76455	Sterimol/B3: 5.15934
Sterimol/B4: 5.54138	Sterimol/L: 12.8339

Surface and Volume Properties
Accessible surface: 482.936	Positive charged surface: 197.541	Negative charged surface: 285.395	Volume: 252.875
Hydrophobic surface: 348.708	Hydrophilic surface: 134.228

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.