MMsINC Database Search


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

MMsINC code: MMs00746907

Type: Neutral
Formula: C₁₈H₁₈FNO₃

SMILES:

Fc1ccc(cc1)CC(=O)Nc1ccc(cc1)C(OCCC)=O

InChI:

InChI=1/C18H18FNO3/c1-2-11-23-18(22)14-5-9-16(10-6-14)20-17(21)12-13-3-7-15(19)8-4-13/h3-10H,2,11-12H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2028 kcal/mol

Physical Properties
Molecular Weight: 315.344 g/mol	logS: -4.62203	SlogP: 3.57367	Reactive groups: 0

Topological Properties
Globularity: 0.0351516	Sterimol/B1: 3.44519	Sterimol/B2: 3.69014	Sterimol/B3: 3.95702
Sterimol/B4: 4.6868	Sterimol/L: 19.9925

Surface and Volume Properties
Accessible surface: 594.809	Positive charged surface: 363.484	Negative charged surface: 231.324	Volume: 300.375
Hydrophobic surface: 498.772	Hydrophilic surface: 96.037

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.