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MMsINC code: MMs03454266

Type: Neutral
Formula: C₁₀H₁₄N₅O₄P

SMILES:

[PH](OCC1OC(n2c3ncnc(N)c3nc2)CC1)(O)=O

InChI:

InChI=1/C10H14N5O4P/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(19-7)3-18-20(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)=22.8131 kcal/mol

Physical Properties
Molecular Weight: 299.227 g/mol	logS: -2.26083	SlogP: -0.49	Reactive groups: 0

Topological Properties
Globularity: 0.0673337	Sterimol/B1: 2.18919	Sterimol/B2: 3.51651	Sterimol/B3: 4.69318
Sterimol/B4: 5.00751	Sterimol/L: 15.4006

Surface and Volume Properties
Accessible surface: 511.783	Positive charged surface: 345.378	Negative charged surface: 166.405	Volume: 247.5
Hydrophobic surface: 232.422	Hydrophilic surface: 279.361

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.