MMsINC Database Search


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

MMsINC code: MMs01510660

Type: Neutral
Formula: C₂₁H₁₈FNO₃

SMILES:

Fc1ccc(cc1)CNC(=O)COc1cc(Oc2ccccc2)ccc1

InChI:

InChI=1/C21H18FNO3/c22-17-11-9-16(10-12-17)14-23-21(24)15-25-19-7-4-8-20(13-19)26-18-5-2-1-3-6-18/h1-13H,14-15H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8656 kcal/mol

Physical Properties
Molecular Weight: 351.377 g/mol	logS: -5.45342	SlogP: 4.5796	Reactive groups: 0

Topological Properties
Globularity: 0.042725	Sterimol/B1: 2.28349	Sterimol/B2: 3.00616	Sterimol/B3: 4.19833
Sterimol/B4: 6.53043	Sterimol/L: 21.024

Surface and Volume Properties
Accessible surface: 644.905	Positive charged surface: 364.675	Negative charged surface: 280.23	Volume: 334.125
Hydrophobic surface: 578.793	Hydrophilic surface: 66.112

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.