MMsINC Database Search


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MMsINC code: MMs02508120

Type: Neutral
Formula: C₁₃H₁₂Cl₂N₂O₂S₂

SMILES:

ClC(Cl)S(Nc1ccccc1)=NS(=O)(=O)c1ccccc1

InChI:

InChI=1/C13H12Cl2N2O2S2/c14-13(15)20(16-11-7-3-1-4-8-11)17-21(18,19)12-9-5-2-6-10-12/h1-10,13H,(H,16,17)/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.9261 kcal/mol

Physical Properties
Molecular Weight: 363.289 g/mol	logS: -4.99151	SlogP: 4.4905	Reactive groups: 0

Topological Properties
Globularity: 0.136712	Sterimol/B1: 2.40985	Sterimol/B2: 3.90474	Sterimol/B3: 4.15116
Sterimol/B4: 8.81318	Sterimol/L: 13.053

Surface and Volume Properties
Accessible surface: 556.247	Positive charged surface: 228.043	Negative charged surface: 328.204	Volume: 292.25
Hydrophobic surface: 383.273	Hydrophilic surface: 172.974

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 3	Basic groups: 1
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.