MMsINC Database Search


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MMsINC code: MMs00147859

Type: Neutral
Formula: C₁₄H₁₀ClN₃O₂S₂

SMILES:

Clc1ccc(S(=O)(=O)Nc2sc(nn2)-c2ccccc2)cc1

InChI:

InChI=1/C14H10ClN3O2S2/c15-11-6-8-12(9-7-11)22(19,20)18-14-17-16-13(21-14)10-4-2-1-3-5-10/h1-9H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.4278 kcal/mol

Physical Properties
Molecular Weight: 351.838 g/mol	logS: -6.40488	SlogP: 3.6593	Reactive groups: 0

Topological Properties
Globularity: 0.0694771	Sterimol/B1: 3.25633	Sterimol/B2: 4.44845	Sterimol/B3: 4.97752
Sterimol/B4: 5.32182	Sterimol/L: 15.2077

Surface and Volume Properties
Accessible surface: 547.272	Positive charged surface: 213.027	Negative charged surface: 334.245	Volume: 284.875
Hydrophobic surface: 425.964	Hydrophilic surface: 121.308

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.