MMsINC Database Search


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MMsINC code: MMs02340110

Type: Neutral
Formula: C₉H₇F₂NO₂S₃

SMILES:

s1c2c(nc1SC)cc(S(=O)(=O)C(F)F)cc2

InChI:

InChI=1/C9H7F2NO2S3/c1-15-9-12-6-4-5(2-3-7(6)16-9)17(13,14)8(10)11/h2-4,8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.2767 kcal/mol

Physical Properties
Molecular Weight: 295.354 g/mol	logS: -3.91769	SlogP: 3.4344	Reactive groups: 0

Topological Properties
Globularity: 0.050542	Sterimol/B1: 3.02648	Sterimol/B2: 3.55217	Sterimol/B3: 3.55353
Sterimol/B4: 4.59424	Sterimol/L: 14.5731

Surface and Volume Properties
Accessible surface: 443.152	Positive charged surface: 163.027	Negative charged surface: 280.126	Volume: 214
Hydrophobic surface: 227.177	Hydrophilic surface: 215.975

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.