MMsINC Database Search


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MMsINC code: MMs00024235

Type: Neutral
Formula: C₈H₆F₄O

SMILES:

Fc1c(cccc1C(F)(F)F)CO

InChI:

InChI=1/C8H6F4O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3,13H,4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.2601 kcal/mol

Physical Properties
Molecular Weight: 194.127 g/mol	logS: -2.50743	SlogP: 2.9147	Reactive groups: 0

Topological Properties
Globularity: 0.0426567	Sterimol/B1: 2.56437	Sterimol/B2: 2.63705	Sterimol/B3: 2.63908
Sterimol/B4: 5.61254	Sterimol/L: 10.8357

Surface and Volume Properties
Accessible surface: 338.918	Positive charged surface: 142.831	Negative charged surface: 196.088	Volume: 145.375
Hydrophobic surface: 181.053	Hydrophilic surface: 157.865

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.