MMsINC Database Search


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MMsINC code: MMs00006375

Type: Neutral
Formula: C₈H₇F₃O

SMILES:

FC(F)(F)c1ccc(cc1)CO

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.6749 kcal/mol

Physical Properties
Molecular Weight: 176.137 g/mol	logS: -2.21245	SlogP: 2.7756	Reactive groups: 0

Topological Properties
Globularity: 0.0562863	Sterimol/B1: 2.42023	Sterimol/B2: 2.54782	Sterimol/B3: 2.9479
Sterimol/B4: 4.81535	Sterimol/L: 10.652

Surface and Volume Properties
Accessible surface: 336.772	Positive charged surface: 149.025	Negative charged surface: 187.747	Volume: 142.125
Hydrophobic surface: 168.918	Hydrophilic surface: 167.854

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.