[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate

Formula:C10H12N5O7P Mutagenic:high Tumorigenic:none Reproductive Effective:none [(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate is not a drug-like molecule.

MolName	[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate
MolecularFormula	C10H12N5O7P
Smiles	Nc1c2ncn([C@@H](C=O)O[C@H](COP(O)(O)=O)C=O)c2ncn1
InChI	InChI=1S/C10H12N5O7P/c11-9-8-10(13-4-12-9)15(5-14-8)7(2-17)22-6(1-16)3-21-23(18,19)20/h1-2,4-7H,3H2,(H2,11,12,13)(H2,18,19,20)/t6-,7+/m0/s1
InChIK	MEHSJNLHNAMNGO-NKWVEPMBSA-N
TotalMolweight	345.207
Molweight	345.207
MonoisotopicMass	345.047437
CLogP	-5.7718
CLogS	-0.873
H Acceptors	12
H Donors	3
TotalSurfaceArea	236.17
Relative PSA	0.61121
PolarSurfaceArea	189.56
Druglikeness	-19.608
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	13
Electronegative Atoms	13
StereoCenters	2
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	8
Symmetricatoms	1
Aromatic Nitrogens	4
BasicNitrogens	1
AcidicOxygens	2
StereoCon	this enantiomer

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1 - [(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate | 2 - [(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate

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