MMsINC Database Search


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MMsINC code: MMs01996032

Type: Neutral
Formula: C₁₂H₁₁F₂NO₃S₂

SMILES:

s1cccc1S(=O)(=O)N(C(F)F)c1ccc(OC)cc1

InChI:

InChI=1/C12H11F2NO3S2/c1-18-10-6-4-9(5-7-10)15(12(13)14)20(16,17)11-3-2-8-19-11/h2-8,12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.1487 kcal/mol

Physical Properties
Molecular Weight: 319.352 g/mol	logS: -3.22156	SlogP: 3.5945	Reactive groups: 0

Topological Properties
Globularity: 0.0547906	Sterimol/B1: 2.93414	Sterimol/B2: 3.90243	Sterimol/B3: 4.22856
Sterimol/B4: 5.71853	Sterimol/L: 14.9087

Surface and Volume Properties
Accessible surface: 478.053	Positive charged surface: 226.659	Negative charged surface: 251.394	Volume: 253.875
Hydrophobic surface: 354.561	Hydrophilic surface: 123.492

Pharmacophoric Properties
Hydrogen bond donors: 0	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.