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MMsINC code: MMs03132538

Type: Ionized
Formula: C₂₀H₁₄F₄NO₂-

SMILES:

Fc1ccc(cc1)-c1n(c(cc1)CCC(=O)[O-])-c1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C20H15F4NO2/c21-15-6-4-13(5-7-15)18-10-8-16(9-11-19(26)27)25(18)17-3-1-2-14(12-17)20(22,23)24/h1-8,10,12H,9,11H2,(H,26,27)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.4155 kcal/mol

Physical Properties
Molecular Weight: 376.329 g/mol	logS: -5.61884	SlogP: 4.29617	Reactive groups: 0

Topological Properties
Globularity: 0.172521	Sterimol/B1: 2.24784	Sterimol/B2: 3.17108	Sterimol/B3: 5.53093
Sterimol/B4: 8.19729	Sterimol/L: 14.8979

Surface and Volume Properties
Accessible surface: 570.433	Positive charged surface: 248.209	Negative charged surface: 322.224	Volume: 319.375
Hydrophobic surface: 378.872	Hydrophilic surface: 191.561

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs03132537
PUBCHEM-ZINC04550411