MMsINC Database Search


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MMsINC code: MMs02551175

Type: Neutral
Formula: C₈H₈F₂O₂S

SMILES:

S(=O)(=O)(Cc1cccc(F)c1F)C

InChI:

InChI=1/C8H8F2O2S/c1-13(11,12)5-6-3-2-4-7(9)8(6)10/h2-4H,5H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.1128 kcal/mol

Physical Properties
Molecular Weight: 206.212 g/mol	logS: -2.05957	SlogP: 1.7758	Reactive groups: 0

Topological Properties
Globularity: 0.0819462	Sterimol/B1: 2.9446	Sterimol/B2: 3.14803	Sterimol/B3: 3.67669
Sterimol/B4: 3.8308	Sterimol/L: 11.564

Surface and Volume Properties
Accessible surface: 358.628	Positive charged surface: 168.383	Negative charged surface: 190.245	Volume: 164.125
Hydrophobic surface: 299.755	Hydrophilic surface: 58.873

Pharmacophoric Properties
Hydrogen bond donors: 0	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.