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MMsINC code: MMs03080219

Type: Neutral
Formula: C₉H₁₁FN₂O₆

SMILES:

FC=1N(C2OC(CO)C(O)C2O)C(=O)NC(=O)C=1

InChI:

InChI=1/C9H11FN2O6/c10-4-1-5(14)11-9(17)12(4)8-7(16)6(15)3(2-13)18-8/h1,3,6-8,13,15-16H,2H2,(H,11,14,17)/t3-,6+,7-,8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.8219 kcal/mol

Physical Properties
Molecular Weight: 262.193 g/mol	logS: -0.5501	SlogP: -2.103	Reactive groups: 0

Topological Properties
Globularity: 0.0901146	Sterimol/B1: 3.26992	Sterimol/B2: 3.48716	Sterimol/B3: 4.3692
Sterimol/B4: 4.47142	Sterimol/L: 12.3286

Surface and Volume Properties
Accessible surface: 411.047	Positive charged surface: 264.659	Negative charged surface: 146.388	Volume: 202.375
Hydrophobic surface: 154.928	Hydrophilic surface: 256.119

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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.