MMsINC Database Search


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

MMsINC code: MMs01586321

Type: Neutral
Formula: C₁₆H₁₁F₂NO₇

SMILES:

FC1(F)Oc2cc(NC(=O)COC(=O)c3ccc(O)cc3O)ccc2O1

InChI:

InChI=1/C16H11F2NO7/c17-16(18)25-12-4-1-8(5-13(12)26-16)19-14(22)7-24-15(23)10-3-2-9(20)6-11(10)21/h1-6,20-21H,7H2,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.9719 kcal/mol

Physical Properties
Molecular Weight: 367.26 g/mol	logS: -4.104	SlogP: 2.6347	Reactive groups: 0

Topological Properties
Globularity: 0.0146353	Sterimol/B1: 2.14603	Sterimol/B2: 3.53737	Sterimol/B3: 3.70026
Sterimol/B4: 4.81498	Sterimol/L: 19.3303

Surface and Volume Properties
Accessible surface: 580.904	Positive charged surface: 298.18	Negative charged surface: 282.725	Volume: 286
Hydrophobic surface: 292.025	Hydrophilic surface: 288.879

Pharmacophoric Properties
Hydrogen bond donors: 3	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.