MMsINC Database Search


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

MMsINC code: MMs02562259

Type: Neutral
Formula: C₂₀H₂₁FN₂O₇

SMILES:

Fc1ccc(NC(=O)COC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1

InChI:

InChI=1/C20H21FN2O7/c1-27-15-8-12(9-16(28-2)19(15)29-3)20(26)22-10-18(25)30-11-17(24)23-14-6-4-13(21)5-7-14/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.526 kcal/mol

Physical Properties
Molecular Weight: 420.393 g/mol	logS: -4.38173	SlogP: 1.7632	Reactive groups: 1

Topological Properties
Globularity: 0.0107318	Sterimol/B1: 1.98021	Sterimol/B2: 2.89628	Sterimol/B3: 3.00674
Sterimol/B4: 8.99026	Sterimol/L: 22.9482

Surface and Volume Properties
Accessible surface: 722.632	Positive charged surface: 509.423	Negative charged surface: 213.208	Volume: 373.375
Hydrophobic surface: 566.775	Hydrophilic surface: 155.857

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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.