MMsINC Database Search


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MMsINC code: MMs02339669

Type: Neutral
Formula: C₁₆H₁₀F₆O₄

SMILES:

FC(F)(F)COC(=O)c1cc2c(cc(cc2)C(OCC(F)(F)F)=O)cc1

InChI:

InChI=1/C16H10F6O4/c17-15(18,19)7-25-13(23)11-3-1-9-5-12(4-2-10(9)6-11)14(24)26-8-16(20,21)22/h1-6H,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3691 kcal/mol

Physical Properties
Molecular Weight: 380.24 g/mol	logS: -6.1922	SlogP: 5.1178	Reactive groups: 0

Topological Properties
Globularity: 0.00973753	Sterimol/B1: 2.55347	Sterimol/B2: 2.6361	Sterimol/B3: 2.64093
Sterimol/B4: 5.70631	Sterimol/L: 20.1229

Surface and Volume Properties
Accessible surface: 575.998	Positive charged surface: 207.997	Negative charged surface: 356.93	Volume: 281.875
Hydrophobic surface: 280.975	Hydrophilic surface: 295.023

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.