MMsINC Database Search


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MMsINC code: MMs00058747

Type: Neutral
Formula: C₉H₄F₆O

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)C(F)(F)F

InChI:

InChI=1/C9H4F6O/c10-8(11,12)6-3-1-5(2-4-6)7(16)9(13,14)15/h1-4H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0479 kcal/mol

Physical Properties
Molecular Weight: 242.118 g/mol	logS: -3.82933	SlogP: 4.1818	Reactive groups: 0

Topological Properties
Globularity: 0.0392377	Sterimol/B1: 2.50267	Sterimol/B2: 2.63633	Sterimol/B3: 2.81677
Sterimol/B4: 5.11814	Sterimol/L: 11.593

Surface and Volume Properties
Accessible surface: 363.359	Positive charged surface: 79.4978	Negative charged surface: 283.862	Volume: 163.375
Hydrophobic surface: 122.185	Hydrophilic surface: 241.174

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.