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MMsINC code: MMs03536902

Type: Neutral
Formula: C₁₁H₁₂F₂N₂O₅

SMILES:

FC(F)=CC1=CN(C2OC(CO)C(O)C2)C(=O)NC1=O

InChI:

InChI=1/C11H12F2N2O5/c12-8(13)1-5-3-15(11(19)14-10(5)18)9-2-6(17)7(4-16)20-9/h1,3,6-7,9,16-17H,2,4H2,(H,14,18,19)/t6-,7+,9+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.9496 kcal/mol

Physical Properties
Molecular Weight: 290.222 g/mol	logS: -1.56026	SlogP: -0.2204	Reactive groups: 0

Topological Properties
Globularity: 0.162021	Sterimol/B1: 3.03823	Sterimol/B2: 3.99591	Sterimol/B3: 4.53953
Sterimol/B4: 4.98272	Sterimol/L: 13.5397

Surface and Volume Properties
Accessible surface: 466.428	Positive charged surface: 281.856	Negative charged surface: 184.572	Volume: 227.875
Hydrophobic surface: 234.376	Hydrophilic surface: 232.052

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

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.