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MMsINC code: MMs02411696

Type: Neutral
Formula: C₁₀H₁₁FN₄O₅

SMILES:

FC=1NC(=O)c2ncn(c2N=1)C1OC(CO)C(O)C1O

InChI:

InChI=1/C10H11FN4O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H,13,14,19)/t3-,5+,6+,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6928 kcal/mol

Physical Properties
Molecular Weight: 286.219 g/mol	logS: -1.0981	SlogP: -1.7095	Reactive groups: 0

Topological Properties
Globularity: 0.100968	Sterimol/B1: 2.16177	Sterimol/B2: 3.12881	Sterimol/B3: 3.78533
Sterimol/B4: 5.42386	Sterimol/L: 13.4123

Surface and Volume Properties
Accessible surface: 453.711	Positive charged surface: 300.38	Negative charged surface: 153.331	Volume: 221
Hydrophobic surface: 155.908	Hydrophilic surface: 297.803

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

MMs02411697
NCID-ZINC04878799