MMsINC Database Search


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MMsINC code: MMs00136499

Type: Neutral
Formula: C₁₀H₇Cl₂NO₂S₂

SMILES:

Clc1ccccc1NS(=O)(=O)c1sc(Cl)cc1

InChI:

InChI=1/C10H7Cl2NO2S2/c11-7-3-1-2-4-8(7)13-17(14,15)10-6-5-9(12)16-10/h1-6,13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.6568 kcal/mol

Physical Properties
Molecular Weight: 308.209 g/mol	logS: -4.79157	SlogP: 3.8557	Reactive groups: 0

Topological Properties
Globularity: 0.253672	Sterimol/B1: 2.95304	Sterimol/B2: 4.78189	Sterimol/B3: 5.54753
Sterimol/B4: 5.86353	Sterimol/L: 11.0534

Surface and Volume Properties
Accessible surface: 453.596	Positive charged surface: 144.078	Negative charged surface: 309.517	Volume: 231
Hydrophobic surface: 376.49	Hydrophilic surface: 77.106

Pharmacophoric Properties
Hydrogen bond donors: 1	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.