MMsINC Database Search


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MMsINC code: MMs02197515

Type: Neutral
Formula: C₁₀H₉F₃O₃S

SMILES:

S(=O)(=O)(\C=C\c1ccc(OC)cc1)C(F)(F)F

InChI:

InChI=1/C10H9F3O3S/c1-16-9-4-2-8(3-5-9)6-7-17(14,15)10(11,12)13/h2-7H,1H3/b7-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.7296 kcal/mol

Physical Properties
Molecular Weight: 266.239 g/mol	logS: -2.93151	SlogP: 3.0204	Reactive groups: 0

Topological Properties
Globularity: 0.0422796	Sterimol/B1: 2.67006	Sterimol/B2: 3.34804	Sterimol/B3: 3.77592
Sterimol/B4: 5.35161	Sterimol/L: 14.7265

Surface and Volume Properties
Accessible surface: 441.577	Positive charged surface: 180.676	Negative charged surface: 260.901	Volume: 204.75
Hydrophobic surface: 259.114	Hydrophilic surface: 182.463

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.