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MMsINC code: MMs03303244

Type: Neutral
Formula: C₉H₁₃FN₄O₄

SMILES:

FC1C(O)C(OC1CO)n1cnc(C(=O)N)c1N

InChI:

InChI=1/C9H13FN4O4/c10-4-3(1-15)18-9(6(4)16)14-2-13-5(7(14)11)8(12)17/h2-4,6,9,15-16H,1,11H2,(H2,12,17)/t3-,4+,6+,9+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3345 kcal/mol

Physical Properties
Molecular Weight: 260.225 g/mol	logS: -0.41111	SlogP: -1.3317	Reactive groups: 0

Topological Properties
Globularity: 0.071142	Sterimol/B1: 2.86766	Sterimol/B2: 2.95502	Sterimol/B3: 3.71062
Sterimol/B4: 5.92221	Sterimol/L: 12.8151

Surface and Volume Properties
Accessible surface: 429.867	Positive charged surface: 300.258	Negative charged surface: 129.609	Volume: 211.75
Hydrophobic surface: 135.368	Hydrophilic surface: 294.499

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

MMs03303245
PUBCHEM-ZINC05544817