MMsINC Database Search


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MMsINC code: MMs02758373

Type: Neutral
Formula: C₁₂H₁₀Cl₂N₂O₂S

SMILES:

Clc1cc(S(=O)(=O)Nc2ncccc2C)ccc1Cl

InChI:

InChI=1/C12H10Cl2N2O2S/c1-8-3-2-6-15-12(8)16-19(17,18)9-4-5-10(13)11(14)7-9/h2-7H,1H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.5912 kcal/mol

Physical Properties
Molecular Weight: 317.196 g/mol	logS: -3.72889	SlogP: 3.49762	Reactive groups: 0

Topological Properties
Globularity: 0.155343	Sterimol/B1: 3.11331	Sterimol/B2: 3.16543	Sterimol/B3: 5.32881
Sterimol/B4: 6.53848	Sterimol/L: 12.6327

Surface and Volume Properties
Accessible surface: 481.797	Positive charged surface: 195.854	Negative charged surface: 285.943	Volume: 253.25
Hydrophobic surface: 399.023	Hydrophilic surface: 82.774

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.