MMsINC Database Search


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MMsINC code: MMs02659315

Type: Neutral
Formula: C₉H₇Cl₂N₃O₂S₂

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1sc(nn1)C

InChI:

InChI=1/C9H7Cl2N3O2S2/c1-5-12-13-9(17-5)14-18(15,16)8-4-6(10)2-3-7(8)11/h2-4H,1H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=4.55257 kcal/mol

Physical Properties
Molecular Weight: 324.212 g/mol	logS: -4.4458	SlogP: 2.95412	Reactive groups: 0

Topological Properties
Globularity: 0.171203	Sterimol/B1: 3.70223	Sterimol/B2: 3.94792	Sterimol/B3: 4.39775
Sterimol/B4: 6.03955	Sterimol/L: 12.0533

Surface and Volume Properties
Accessible surface: 468.6	Positive charged surface: 156.866	Negative charged surface: 311.734	Volume: 236.75
Hydrophobic surface: 358.379	Hydrophilic surface: 110.221

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.