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MMsINC code: MMs03384446

Type: Neutral
Formula: C₉H₁₀F₂N₂O₅

SMILES:

FC1C(O)C(OC1N1C=C(F)C(=O)NC1=O)CO

InChI:

InChI=1/C9H10F2N2O5/c10-3-1-13(9(17)12-7(3)16)8-5(11)6(15)4(2-14)18-8/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5-,6-,8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.9421 kcal/mol

Physical Properties
Molecular Weight: 264.184 g/mol	logS: -0.78712	SlogP: -0.7059	Reactive groups: 0

Topological Properties
Globularity: 0.166653	Sterimol/B1: 2.32479	Sterimol/B2: 3.77278	Sterimol/B3: 4.18907
Sterimol/B4: 4.51309	Sterimol/L: 12.0781

Surface and Volume Properties
Accessible surface: 413.217	Positive charged surface: 240.096	Negative charged surface: 173.121	Volume: 198.875
Hydrophobic surface: 171.486	Hydrophilic surface: 241.731

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 4

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.