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MMsINC code: MMs03348044

Type: Neutral
Formula: C₁₈H₁₇F₂NO₄

SMILES:

Fc1cccc(F)c1C(=O)NC(CC(O)=O)c1ccc(OCC)cc1

InChI:

InChI=1/C18H17F2NO4/c1-2-25-12-8-6-11(7-9-12)15(10-16(22)23)21-18(24)17-13(19)4-3-5-14(17)20/h3-9,15H,2,10H2,1H3,(H,21,24)(H,22,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.7367 kcal/mol

Physical Properties
Molecular Weight: 349.333 g/mol	logS: -4.14422	SlogP: 3.4048	Reactive groups: 0

Topological Properties
Globularity: 0.0860374	Sterimol/B1: 2.41149	Sterimol/B2: 3.15916	Sterimol/B3: 4.12379
Sterimol/B4: 9.12238	Sterimol/L: 16.3076

Surface and Volume Properties
Accessible surface: 597.008	Positive charged surface: 335.482	Negative charged surface: 261.526	Volume: 308.125
Hydrophobic surface: 449.259	Hydrophilic surface: 147.749

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03348045
PUBCHEM-ZINC05686505