MMsINC Database Search


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MMsINC code: MMs02411206

Type: Neutral
Formula: C₁₁H₇F₇O₂S

SMILES:

s1c(ccc1C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F

InChI:

InChI=1/C11H7F7O2S/c1-5-2-3-7(21-5)6(19)4-8(20)9(12,13)10(14,15)11(16,17)18/h2-3H,4H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0532 kcal/mol

Physical Properties
Molecular Weight: 336.227 g/mol	logS: -4.51279	SlogP: 5.29102	Reactive groups: 1

Topological Properties
Globularity: 0.0373475	Sterimol/B1: 2.44995	Sterimol/B2: 3.20633	Sterimol/B3: 3.38811
Sterimol/B4: 5.89029	Sterimol/L: 14.6026

Surface and Volume Properties
Accessible surface: 464.11	Positive charged surface: 133.301	Negative charged surface: 330.809	Volume: 228.5
Hydrophobic surface: 213.802	Hydrophilic surface: 250.308

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs02411207 NCID-ZINC04876974	MMs02411210 NCID-ZINC04876974	MMs02411208 NCID-ZINC04876974
MMs02411209 NCID-ZINC04876974