MMsINC Database Search


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MMsINC code: MMs01589750

Type: Neutral
Formula: C₁₂H₁₀Cl₂N₂O₂S

SMILES:

Clc1ccccc1CNS(=O)(=O)c1ccc(Cl)nc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.3555 kcal/mol

Physical Properties
Molecular Weight: 317.196 g/mol	logS: -3.51246	SlogP: 3.1333	Reactive groups: 0

Topological Properties
Globularity: 0.0979061	Sterimol/B1: 3.61026	Sterimol/B2: 3.99405	Sterimol/B3: 4.65296
Sterimol/B4: 5.01113	Sterimol/L: 15.0373

Surface and Volume Properties
Accessible surface: 493.656	Positive charged surface: 191.468	Negative charged surface: 302.188	Volume: 254.125
Hydrophobic surface: 386.969	Hydrophilic surface: 106.687

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.