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MMsINC code: MMs02461746

Type: Neutral
Formula: C₁₀H₁₃FN₂O₆

SMILES:

FC1=CN(C2OC(CO)C(O)C2OC)C(=O)NC1=O

InChI:

InChI=1/C10H13FN2O6/c1-18-7-6(15)5(3-14)19-9(7)13-2-4(11)8(16)12-10(13)17/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2939 kcal/mol

Physical Properties
Molecular Weight: 276.22 g/mol	logS: -0.60607	SlogP: -1.4489	Reactive groups: 0

Topological Properties
Globularity: 0.0989884	Sterimol/B1: 2.38693	Sterimol/B2: 3.14979	Sterimol/B3: 3.58897
Sterimol/B4: 8.35203	Sterimol/L: 12.378

Surface and Volume Properties
Accessible surface: 446.931	Positive charged surface: 299.444	Negative charged surface: 147.487	Volume: 221
Hydrophobic surface: 239.53	Hydrophilic surface: 207.401

Pharmacophoric Properties
Hydrogen bond donors: 3	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.