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MMsINC code: MMs03779601

Type: Neutral
Formula: C₁₀H₁₂F₂N₂O₅

SMILES:

FC1(F)C(O)C(OC1N1C=C(C)C(=O)NC1=O)CO

InChI:

InChI=1/C10H12F2N2O5/c1-4-2-14(9(18)13-7(4)17)8-10(11,12)6(16)5(3-15)19-8/h2,5-6,8,15-16H,3H2,1H3,(H,13,17,18)/t5-,6-,8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.2486 kcal/mol

Physical Properties
Molecular Weight: 278.211 g/mol	logS: -0.79448	SlogP: -0.4247	Reactive groups: 0

Topological Properties
Globularity: 0.0697187	Sterimol/B1: 2.70509	Sterimol/B2: 2.76168	Sterimol/B3: 3.49176
Sterimol/B4: 6.59077	Sterimol/L: 12.24

Surface and Volume Properties
Accessible surface: 441.06	Positive charged surface: 264.611	Negative charged surface: 176.449	Volume: 215.25
Hydrophobic surface: 188.078	Hydrophilic surface: 252.982

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

MMs03779602
PUBCHEM-ZINC06521198