MMsINC Database Search


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MMsINC code: MMs03341962

Type: Neutral
Formula: C₁₂H₄Cl₂F₅NO₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F

InChI:

InChI=1/C12H4Cl2F5NO2S/c13-4-1-2-5(14)6(3-4)23(21,22)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.7021 kcal/mol

Physical Properties
Molecular Weight: 392.131 g/mol	logS: -5.9902	SlogP: 4.4897	Reactive groups: 0

Topological Properties
Globularity: 0.127798	Sterimol/B1: 2.6406	Sterimol/B2: 4.31427	Sterimol/B3: 5.04419
Sterimol/B4: 5.52574	Sterimol/L: 12.7684

Surface and Volume Properties
Accessible surface: 479.709	Positive charged surface: 129.062	Negative charged surface: 350.646	Volume: 255.625
Hydrophobic surface: 412.179	Hydrophilic surface: 67.53

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.