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MMsINC code: MMs03521663

Type: Neutral
Formula: C₁₀H₁₃N₂O₇P

SMILES:

P(OCc1cnc(C)c(O)c1\C=N\OC(=O)C)(O)(O)=O

InChI:

InChI=1/C10H13N2O7P/c1-6-10(14)9(4-12-19-7(2)13)8(3-11-6)5-18-20(15,16)17/h3-4,14H,5H2,1-2H3,(H2,15,16,17)/b12-4+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.4364 kcal/mol

Physical Properties
Molecular Weight: 304.195 g/mol	logS: -0.17358	SlogP: -0.20188	Reactive groups: 0

Topological Properties
Globularity: 0.0341136	Sterimol/B1: 2.21567	Sterimol/B2: 3.0865	Sterimol/B3: 3.34986
Sterimol/B4: 9.16498	Sterimol/L: 15.5921

Surface and Volume Properties
Accessible surface: 525.786	Positive charged surface: 330.829	Negative charged surface: 194.958	Volume: 243.125
Hydrophobic surface: 271.696	Hydrophilic surface: 254.09

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs03521664
PUBCHEM-ZINC06068769