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MMsINC code: MMs03752207

Type: Neutral
Formula: C₁₉H₁₇F₂NO₄

SMILES:

Fc1cc(ccc1)C(=O)N1CC(OCc2ccc(F)cc2)CC1C(O)=O

InChI:

InChI=1/C19H17F2NO4/c20-14-6-4-12(5-7-14)11-26-16-9-17(19(24)25)22(10-16)18(23)13-2-1-3-15(21)8-13/h1-8,16-17H,9-11H2,(H,24,25)/t16-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.121 kcal/mol

Physical Properties
Molecular Weight: 361.344 g/mol	logS: -4.27197	SlogP: 3.1157	Reactive groups: 0

Topological Properties
Globularity: 0.0700315	Sterimol/B1: 3.0083	Sterimol/B2: 3.40241	Sterimol/B3: 4.27856
Sterimol/B4: 9.08734	Sterimol/L: 16.1508

Surface and Volume Properties
Accessible surface: 596.909	Positive charged surface: 314.185	Negative charged surface: 282.724	Volume: 316.875
Hydrophobic surface: 475.239	Hydrophilic surface: 121.67

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03752208
PUBCHEM-ZINC06471473