MMsINC Database Search


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MMsINC code: MMs00673987

Type: Neutral
Formula: C₁₉H₁₅F₃O₄

SMILES:

FC(F)(F)C=1Oc2c(ccc(O)c2)C(=O)C=1Oc1ccc(cc1)C(C)C

InChI:

InChI=1/C19H15F3O4/c1-10(2)11-3-6-13(7-4-11)25-17-16(24)14-8-5-12(23)9-15(14)26-18(17)19(20,21)22/h3-10,23H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.0519 kcal/mol

Physical Properties
Molecular Weight: 364.319 g/mol	logS: -6.82473	SlogP: 5.3635	Reactive groups: 1

Topological Properties
Globularity: 0.111819	Sterimol/B1: 1.969	Sterimol/B2: 3.84552	Sterimol/B3: 4.05395
Sterimol/B4: 7.45067	Sterimol/L: 15.7991

Surface and Volume Properties
Accessible surface: 568.76	Positive charged surface: 290.423	Negative charged surface: 278.338	Volume: 309.125
Hydrophobic surface: 357.475	Hydrophilic surface: 211.285

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.