MMsINC Database Search


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MMsINC code: MMs00746339

Type: Neutral
Formula: C₁₉H₂₁F₃O₄

SMILES:

FC(F)(F)c1cc(OCCOCCOc2ccccc2OCC)ccc1

InChI:

InChI=1/C19H21F3O4/c1-2-24-17-8-3-4-9-18(17)26-13-11-23-10-12-25-16-7-5-6-15(14-16)19(20,21)22/h3-9,14H,2,10-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.125 kcal/mol

Physical Properties
Molecular Weight: 370.367 g/mol	logS: -4.85676	SlogP: 4.89	Reactive groups: 0

Topological Properties
Globularity: 0.172936	Sterimol/B1: 2.38517	Sterimol/B2: 4.38217	Sterimol/B3: 5.67587
Sterimol/B4: 8.2454	Sterimol/L: 16.4136

Surface and Volume Properties
Accessible surface: 673.04	Positive charged surface: 409.257	Negative charged surface: 263.782	Volume: 335.75
Hydrophobic surface: 528.109	Hydrophilic surface: 144.931

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.