MMsINC Database Search


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MMsINC code: MMs02141280

Type: Neutral
Formula: C₁₀H₆F₃NO₂S₂

SMILES:

s1cccc1S(=O)(=O)c1ncc(cc1)C(F)(F)F

InChI:

InChI=1/C10H6F3NO2S2/c11-10(12,13)7-3-4-8(14-6-7)18(15,16)9-2-1-5-17-9/h1-6H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.5847 kcal/mol

Physical Properties
Molecular Weight: 293.289 g/mol	logS: -3.42411	SlogP: 3.3062	Reactive groups: 0

Topological Properties
Globularity: 0.143418	Sterimol/B1: 2.48964	Sterimol/B2: 3.23454	Sterimol/B3: 5.01241
Sterimol/B4: 5.3644	Sterimol/L: 12.9154

Surface and Volume Properties
Accessible surface: 435.797	Positive charged surface: 140.675	Negative charged surface: 295.122	Volume: 212.125
Hydrophobic surface: 260.198	Hydrophilic surface: 175.599

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.