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MMsINC code: MMs02479988

Type: Neutral
Formula: C₁₀H₁₄FN₃O₄

SMILES:

FC1=CN(C2OC(CO)C(O)C2)C(=O)N=C1NC

InChI:

InChI=1/C10H14FN3O4/c1-12-9-5(11)3-14(10(17)13-9)8-2-6(16)7(4-15)18-8/h3,6-8,15-16H,2,4H2,1H3,(H,12,13,17)/t6-,7-,8+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2423 kcal/mol

Physical Properties
Molecular Weight: 259.237 g/mol	logS: -0.75997	SlogP: -0.5721	Reactive groups: 0

Topological Properties
Globularity: 0.0673652	Sterimol/B1: 2.95166	Sterimol/B2: 3.92422	Sterimol/B3: 4.13767
Sterimol/B4: 4.46783	Sterimol/L: 13.4111

Surface and Volume Properties
Accessible surface: 448.023	Positive charged surface: 325.138	Negative charged surface: 122.885	Volume: 218.125
Hydrophobic surface: 263.273	Hydrophilic surface: 184.75

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.