MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01657795

Type: Neutral
Formula: C₁₇H₁₈FNO₄

SMILES:

Fc1cc(OC)ccc1C(OCC(=O)c1cc(n(C)c1C)C)=O

InChI:

InChI=1/C17H18FNO4/c1-10-7-14(11(2)19(10)3)16(20)9-23-17(21)13-6-5-12(22-4)8-15(13)18/h5-8H,9H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.0469 kcal/mol

Physical Properties
Molecular Weight: 319.332 g/mol	logS: -3.17523	SlogP: 3.18854	Reactive groups: 0

Topological Properties
Globularity: 0.00750831	Sterimol/B1: 2.35512	Sterimol/B2: 2.50948	Sterimol/B3: 2.51174
Sterimol/B4: 6.63351	Sterimol/L: 19.2874

Surface and Volume Properties
Accessible surface: 578.538	Positive charged surface: 379.602	Negative charged surface: 198.936	Volume: 301.375
Hydrophobic surface: 493.79	Hydrophilic surface: 84.748

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.