MMsINC Database Search


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MMsINC code: MMs03780617

Type: Neutral
Formula: C₁₉H₁₅F₃O₃

SMILES:

FC(F)(F)c1cc(ccc1O)-c1c(c2cc(O)c(O)cc2cc1C)C

InChI:

InChI=1/C19H15F3O3/c1-9-5-12-7-16(24)17(25)8-13(12)10(2)18(9)11-3-4-15(23)14(6-11)19(20,21)22/h3-8,23-25H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.979 kcal/mol

Physical Properties
Molecular Weight: 348.32 g/mol	logS: -6.60768	SlogP: 5.57074	Reactive groups: 0

Topological Properties
Globularity: 0.0828737	Sterimol/B1: 2.42867	Sterimol/B2: 3.00892	Sterimol/B3: 4.73262
Sterimol/B4: 6.98583	Sterimol/L: 15.3211

Surface and Volume Properties
Accessible surface: 541.46	Positive charged surface: 266.316	Negative charged surface: 262.836	Volume: 294.625
Hydrophobic surface: 307.881	Hydrophilic surface: 233.579

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.