MMsINC Database Search


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

MMsINC code: MMs00751491

Type: Neutral
Formula: C₂₀H₂₁FN₂O₄

SMILES:

Fc1ccc(OCCNC(=O)c2ccccc2OCC(=O)NC2CC2)cc1

InChI:

InChI=1/C20H21FN2O4/c21-14-5-9-16(10-6-14)26-12-11-22-20(25)17-3-1-2-4-18(17)27-13-19(24)23-15-7-8-15/h1-6,9-10,15H,7-8,11-13H2,(H,22,25)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0756 kcal/mol

Physical Properties
Molecular Weight: 372.396 g/mol	logS: -4.44604	SlogP: 2.2919	Reactive groups: 0

Topological Properties
Globularity: 0.0311363	Sterimol/B1: 2.68916	Sterimol/B2: 2.80434	Sterimol/B3: 4.30549
Sterimol/B4: 8.05057	Sterimol/L: 21.3893

Surface and Volume Properties
Accessible surface: 684.767	Positive charged surface: 422.332	Negative charged surface: 262.435	Volume: 347.625
Hydrophobic surface: 553.156	Hydrophilic surface: 131.611

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.