MMsINC Database Search


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MMsINC code: MMs00021722

Type: Neutral
Formula: C₁₀H₅F₇O

SMILES:

FC(F)(C(=O)c1ccccc1)C(F)(F)C(F)(F)F

InChI:

InChI=1/C10H5F7O/c11-8(12,9(13,14)10(15,16)17)7(18)6-4-2-1-3-5-6/h1-5H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.7191 kcal/mol

Physical Properties
Molecular Weight: 274.135 g/mol	logS: -4.17946	SlogP: 4.9619	Reactive groups: 1

Topological Properties
Globularity: 0.0406867	Sterimol/B1: 2.66644	Sterimol/B2: 2.67393	Sterimol/B3: 3.46512
Sterimol/B4: 4.34021	Sterimol/L: 12.862

Surface and Volume Properties
Accessible surface: 387.792	Positive charged surface: 107.851	Negative charged surface: 279.942	Volume: 183.25
Hydrophobic surface: 177.125	Hydrophilic surface: 210.667

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.