MMsINC Database Search


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MMsINC code: MMs00848821

Type: Neutral
Formula: C₁₀H₉ClN₂O₂S₂

SMILES:

Clc1sc(S(=O)(=O)Nc2nccc(c2)C)cc1

InChI:

InChI=1/C10H9ClN2O2S2/c1-7-4-5-12-9(6-7)13-17(14,15)10-3-2-8(11)16-10/h2-6H,1H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.2808 kcal/mol

Physical Properties
Molecular Weight: 288.779 g/mol	logS: -3.58432	SlogP: 2.90572	Reactive groups: 0

Topological Properties
Globularity: 0.126626	Sterimol/B1: 2.45364	Sterimol/B2: 4.83758	Sterimol/B3: 5.14109
Sterimol/B4: 5.29442	Sterimol/L: 12.6499

Surface and Volume Properties
Accessible surface: 459.672	Positive charged surface: 202.331	Negative charged surface: 257.341	Volume: 227
Hydrophobic surface: 366.061	Hydrophilic surface: 93.611

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.