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MMsINC code: MMs03454284

Type: Neutral
Formula: C₁₀H₁₄N₅O₄P

SMILES:

[PH](OCC1OCC(n2c3ncnc(N)c3nc2)C1)(O)=O

InChI:

InChI=1/C10H14N5O4P/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-7(18-2-6)3-19-20(16)17/h4-7,20H,1-3H2,(H,16,17)(H2,11,12,13)/t6-,7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.316 kcal/mol

Physical Properties
Molecular Weight: 299.227 g/mol	logS: -2.17833	SlogP: -0.8376	Reactive groups: 0

Topological Properties
Globularity: 0.0472502	Sterimol/B1: 2.46227	Sterimol/B2: 3.02724	Sterimol/B3: 4.06787
Sterimol/B4: 5.58878	Sterimol/L: 17.1097

Surface and Volume Properties
Accessible surface: 509.935	Positive charged surface: 346.658	Negative charged surface: 163.277	Volume: 245
Hydrophobic surface: 227.427	Hydrophilic surface: 282.508

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 7	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.