MMsINC Database Search


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MMsINC code: MMs00126037

Type: Neutral
Formula: C₈H₇F₃O

SMILES:

FC(F)(F)Cc1cc(O)ccc1

InChI:

InChI=1/C8H7F3O/c9-8(10,11)5-6-2-1-3-7(12)4-6/h1-4,12H,5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.8856 kcal/mol

Physical Properties
Molecular Weight: 176.137 g/mol	logS: -2.14095	SlogP: 2.91687	Reactive groups: 0

Topological Properties
Globularity: 0.109653	Sterimol/B1: 2.47638	Sterimol/B2: 2.89229	Sterimol/B3: 2.90917
Sterimol/B4: 5.20389	Sterimol/L: 10.2977

Surface and Volume Properties
Accessible surface: 332.629	Positive charged surface: 147.807	Negative charged surface: 184.822	Volume: 142.375
Hydrophobic surface: 183.169	Hydrophilic surface: 149.46

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.