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MMsINC code: MMs03548015

Type: Neutral
Formula: C₁₀H₁₄FN₃O₄

SMILES:

FCC1C(O)C(OC1N1C=CC(=NC1=O)N)CO

InChI:

InChI=1/C10H14FN3O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,3-4H2,(H2,12,13,17)/t5-,6+,8-,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.4788 kcal/mol

Physical Properties
Molecular Weight: 259.237 g/mol	logS: -0.67497	SlogP: -1.0433	Reactive groups: 1

Topological Properties
Globularity: 0.133411	Sterimol/B1: 3.07565	Sterimol/B2: 3.89277	Sterimol/B3: 4.29756
Sterimol/B4: 5.84807	Sterimol/L: 11.7544

Surface and Volume Properties
Accessible surface: 428.985	Positive charged surface: 279.883	Negative charged surface: 149.102	Volume: 216.25
Hydrophobic surface: 166.533	Hydrophilic surface: 262.452

Pharmacophoric Properties
Hydrogen bond donors: 3	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: no related molecules available.