MMsINC Database Search


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MMsINC code: MMs00006208

Type: Neutral
Formula: C₇H₅F₃O

SMILES:

FC(F)(F)c1cc(O)ccc1

InChI:

InChI=1/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.4681 kcal/mol

Physical Properties
Molecular Weight: 162.11 g/mol	logS: -2.07948	SlogP: 2.7225	Reactive groups: 0

Topological Properties
Globularity: 0.0525386	Sterimol/B1: 2.5255	Sterimol/B2: 2.62129	Sterimol/B3: 2.64916
Sterimol/B4: 5.1914	Sterimol/L: 8.93874

Surface and Volume Properties
Accessible surface: 306.757	Positive charged surface: 115.308	Negative charged surface: 191.449	Volume: 124.625
Hydrophobic surface: 151.57	Hydrophilic surface: 155.187

Pharmacophoric Properties
Hydrogen bond donors: 1	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.