MMsINC Database Search


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MMsINC code: MMs00112340

Type: Neutral
Formula: C₁₁H₈ClFN₂O₂S

SMILES:

Clc1ccc(nc1)NS(=O)(=O)c1ccc(F)cc1

InChI:

InChI=1/C11H8ClFN2O2S/c12-8-1-6-11(14-7-8)15-18(16,17)10-4-2-9(13)3-5-10/h1-7H,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.0536 kcal/mol

Physical Properties
Molecular Weight: 286.714 g/mol	logS: -3.12911	SlogP: 2.6749	Reactive groups: 0

Topological Properties
Globularity: 0.145482	Sterimol/B1: 2.2022	Sterimol/B2: 4.71006	Sterimol/B3: 4.84088
Sterimol/B4: 5.22644	Sterimol/L: 12.0515

Surface and Volume Properties
Accessible surface: 443.441	Positive charged surface: 182.78	Negative charged surface: 260.662	Volume: 222.875
Hydrophobic surface: 351.661	Hydrophilic surface: 91.78

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.