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MMsINC code: MMs02050989

Type: Neutral
Formula: C₁₉H₁₄F₄O₅

SMILES:

Fc1c(COc2cc3c(oc(C)c3C(O)=O)cc2)c(F)c(F)c(OCC)c1F

InChI:

InChI=1/C19H14F4O5/c1-3-26-18-16(22)14(20)11(15(21)17(18)23)7-27-9-4-5-12-10(6-9)13(19(24)25)8(2)28-12/h4-6H,3,7H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.266 kcal/mol

Physical Properties
Molecular Weight: 398.308 g/mol	logS: -6.48879	SlogP: 5.23992	Reactive groups: 0

Topological Properties
Globularity: 0.033218	Sterimol/B1: 3.84381	Sterimol/B2: 3.95364	Sterimol/B3: 4.31436
Sterimol/B4: 5.71991	Sterimol/L: 20.2574

Surface and Volume Properties
Accessible surface: 632.231	Positive charged surface: 324.032	Negative charged surface: 301.97	Volume: 322.625
Hydrophobic surface: 491.964	Hydrophilic surface: 140.267

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02050990
IFLAB-ZINC04387787