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MMsINC code: MMs01965061

Type: Neutral
Formula: C₂₁H₂₀FNO₄

SMILES:

Fc1ccc(cc1)\C=C/1\Oc2c(C\1=O)c(cc(O)c2CN1CCOCC1)C

InChI:

InChI=1/C21H20FNO4/c1-13-10-17(24)16(12-23-6-8-26-9-7-23)21-19(13)20(25)18(27-21)11-14-2-4-15(22)5-3-14/h2-5,10-11,24H,6-9,12H2,1H3/b18-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.119 kcal/mol

Physical Properties
Molecular Weight: 369.392 g/mol	logS: -5.11837	SlogP: 3.55452	Reactive groups: 1

Topological Properties
Globularity: 0.119326	Sterimol/B1: 2.15638	Sterimol/B2: 3.85971	Sterimol/B3: 3.91732
Sterimol/B4: 11.0072	Sterimol/L: 14.266

Surface and Volume Properties
Accessible surface: 586.349	Positive charged surface: 377.985	Negative charged surface: 208.364	Volume: 341.25
Hydrophobic surface: 490.163	Hydrophilic surface: 96.186

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01965062
IBS-ZINC06669697