MMsINC Database Search


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MMsINC code: MMs00024239

Type: Neutral
Formula: C₈H₆F₄O

SMILES:

Fc1cc(C(F)(F)F)c(cc1)CO

InChI:

InChI=1/C8H6F4O/c9-6-2-1-5(4-13)7(3-6)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)=35.1396 kcal/mol

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

Topological Properties
Globularity: 0.060274	Sterimol/B1: 2.43435	Sterimol/B2: 2.63665	Sterimol/B3: 2.64048
Sterimol/B4: 6.29221	Sterimol/L: 9.90216

Surface and Volume Properties
Accessible surface: 327.751	Positive charged surface: 131.838	Negative charged surface: 195.913	Volume: 146.125
Hydrophobic surface: 181.609	Hydrophilic surface: 146.142

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.