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MMsINC code: MMs02481894

Type: Neutral
Formula: C₁₀H₁₃FN₂O₅

SMILES:

FC1=CN(C2CC(CO)C(O)C2O)C(=O)NC1=O

InChI:

InChI=1/C10H13FN2O5/c11-5-2-13(10(18)12-9(5)17)6-1-4(3-14)7(15)8(6)16/h2,4,6-8,14-16H,1,3H2,(H,12,17,18)/t4-,6+,7-,8+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.7058 kcal/mol

Physical Properties
Molecular Weight: 260.221 g/mol	logS: -0.51562	SlogP: -1.4394	Reactive groups: 0

Topological Properties
Globularity: 0.155069	Sterimol/B1: 2.89109	Sterimol/B2: 3.74411	Sterimol/B3: 3.89736
Sterimol/B4: 4.57361	Sterimol/L: 13.6363

Surface and Volume Properties
Accessible surface: 426.516	Positive charged surface: 280.104	Negative charged surface: 146.412	Volume: 209.875
Hydrophobic surface: 186.445	Hydrophilic surface: 240.071

Pharmacophoric Properties
Hydrogen bond donors: 4	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.