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MMsINC code: MMs01535827

Type: Neutral
Formula: C₁₀H₁₁FN₂O₅

SMILES:

FC1=CN(C2OCCC2)C(=O)N(CC(O)=O)C1=O

InChI:

InChI=1/C10H11FN2O5/c11-6-4-12(7-2-1-3-18-7)10(17)13(9(6)16)5-8(14)15/h4,7H,1-3,5H2,(H,14,15)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.91814 kcal/mol

Physical Properties
Molecular Weight: 258.205 g/mol	logS: -1.1619	SlogP: 0.3915	Reactive groups: 0

Topological Properties
Globularity: 0.0963283	Sterimol/B1: 3.15929	Sterimol/B2: 3.19727	Sterimol/B3: 3.54361
Sterimol/B4: 4.84692	Sterimol/L: 12.8525

Surface and Volume Properties
Accessible surface: 425.933	Positive charged surface: 259.573	Negative charged surface: 166.36	Volume: 208
Hydrophobic surface: 250.423	Hydrophilic surface: 175.51

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01535828
ENAMINE-ZINC04218797