MMsINC Database Search


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MMsINC code: MMs01435442

Type: Neutral
Formula: C₁₈H₁₃Cl₂FN₂O₄S₂

SMILES:

Clc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)ccc1F

InChI:

InChI=1/C18H13Cl2FN2O4S2/c19-12-1-3-13(4-2-12)22-28(24,25)15-7-5-14(6-8-15)23-29(26,27)16-9-10-18(21)17(20)11-16/h1-11,22-23H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.9827 kcal/mol

Physical Properties
Molecular Weight: 475.348 g/mol	logS: -6.47212	SlogP: 4.7341	Reactive groups: 0

Topological Properties
Globularity: 0.17985	Sterimol/B1: 3.90183	Sterimol/B2: 4.92012	Sterimol/B3: 5.04691
Sterimol/B4: 5.45082	Sterimol/L: 15.149

Surface and Volume Properties
Accessible surface: 643.421	Positive charged surface: 248.152	Negative charged surface: 395.269	Volume: 365
Hydrophobic surface: 480.659	Hydrophilic surface: 162.762

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.