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MMsINC code: MMs02463596

Type: Neutral
Formula: C₁₀H₁₂FN₅O₄

SMILES:

Fc1nc2c(ncnc2N)n1C1OC(CO)C(O)C1O

InChI:

InChI=1/C10H12FN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5+,6+,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1302 kcal/mol

Physical Properties
Molecular Weight: 285.235 g/mol	logS: -1.8594	SlogP: -1.7454	Reactive groups: 0

Topological Properties
Globularity: 0.122397	Sterimol/B1: 2.44173	Sterimol/B2: 3.08139	Sterimol/B3: 5.11714
Sterimol/B4: 5.43721	Sterimol/L: 13.7582

Surface and Volume Properties
Accessible surface: 456.762	Positive charged surface: 340.819	Negative charged surface: 115.943	Volume: 225.5
Hydrophobic surface: 154.534	Hydrophilic surface: 302.228

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 7	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

MMs02463597
NCID-ZINC05459703