MMsINC Database Search


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MMsINC code: MMs00099198

Type: Neutral
Formula: C₁₀H₇F₂NO₂S₂

SMILES:

s1cccc1S(=O)(=O)Nc1cc(F)c(F)cc1

InChI:

InChI=1/C10H7F2NO2S2/c11-8-4-3-7(6-9(8)12)13-17(14,15)10-2-1-5-16-10/h1-6,13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.3466 kcal/mol

Physical Properties
Molecular Weight: 275.299 g/mol	logS: -3.60169	SlogP: 2.8271	Reactive groups: 0

Topological Properties
Globularity: 0.187521	Sterimol/B1: 2.47104	Sterimol/B2: 2.55764	Sterimol/B3: 4.29878
Sterimol/B4: 6.30825	Sterimol/L: 11.5032

Surface and Volume Properties
Accessible surface: 419.69	Positive charged surface: 163.52	Negative charged surface: 256.171	Volume: 207.75
Hydrophobic surface: 333.657	Hydrophilic surface: 86.033

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.