MMsINC Database Search


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MMsINC code: MMs01980741

Type: Neutral
Formula: C₁₉H₁₅F₃O₄

SMILES:

FC(F)(F)C=1Oc2c(ccc(O)c2)C(=O)C=1Oc1cc(cc(C)c1C)C

InChI:

InChI=1/C19H15F3O4/c1-9-6-10(2)11(3)14(7-9)25-17-16(24)13-5-4-12(23)8-15(13)26-18(17)19(20,21)22/h4-8,23H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5711 kcal/mol

Physical Properties
Molecular Weight: 364.319 g/mol	logS: -6.42868	SlogP: 5.16536	Reactive groups: 1

Topological Properties
Globularity: 0.134921	Sterimol/B1: 2.08738	Sterimol/B2: 3.83176	Sterimol/B3: 5.10934
Sterimol/B4: 7.36447	Sterimol/L: 15.858

Surface and Volume Properties
Accessible surface: 565.962	Positive charged surface: 288.576	Negative charged surface: 277.386	Volume: 304.75
Hydrophobic surface: 397.516	Hydrophilic surface: 168.446

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.