MMsINC Database Search


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MMsINC code: MMs00622237

Type: Neutral
Formula: C₁₆H₈F₄O₄

SMILES:

Fc1ccc(OC=2C(=O)c3c(OC=2C(F)(F)F)cc(O)cc3)cc1

InChI:

InChI=1/C16H8F4O4/c17-8-1-4-10(5-2-8)23-14-13(22)11-6-3-9(21)7-12(11)24-15(14)16(18,19)20/h1-7,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.2313 kcal/mol

Physical Properties
Molecular Weight: 340.228 g/mol	logS: -5.61535	SlogP: 4.3792	Reactive groups: 1

Topological Properties
Globularity: 0.107516	Sterimol/B1: 3.2864	Sterimol/B2: 3.33209	Sterimol/B3: 4.22413
Sterimol/B4: 5.96449	Sterimol/L: 14.8871

Surface and Volume Properties
Accessible surface: 496.311	Positive charged surface: 206.968	Negative charged surface: 289.343	Volume: 258
Hydrophobic surface: 323.188	Hydrophilic surface: 173.123

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.