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MMsINC code: MMs03782296

Type: Neutral
Formula: C₉H₁₀F₃N₃O₄

SMILES:

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

InChI:

InChI=1/C9H10F3N3O4/c10-3-1-15(8(18)14-6(3)13)7-9(11,12)5(17)4(2-16)19-7/h1,4-5,7,16-17H,2H2,(H2,13,14,18)/t4-,5-,7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7195 kcal/mol

Physical Properties
Molecular Weight: 281.19 g/mol	logS: -1.36753	SlogP: -0.1677	Reactive groups: 0

Topological Properties
Globularity: 0.0606451	Sterimol/B1: 3.06632	Sterimol/B2: 3.21854	Sterimol/B3: 3.45966
Sterimol/B4: 5.3047	Sterimol/L: 12.7397

Surface and Volume Properties
Accessible surface: 424.291	Positive charged surface: 250.299	Negative charged surface: 173.992	Volume: 204.5
Hydrophobic surface: 155.941	Hydrophilic surface: 268.35

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

MMs03782297
PUBCHEM-ZINC06524206