(2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Formula:C17H17N7O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is not a drug-like molecule.

MolName	(2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MolecularFormula	C17H17N7O4Cl2
Smiles	Nc1ncnc2c1nc(N/N=C\c(c(Cl)ccc1)c1Cl)n2[C@H]([C@H]1O)O[C@@H](CO)[C@@H]1O
InChI	InChI=1S/C17H17Cl2N7O4/c18-8-2-1-3-9(19)7(8)4-23-25-17-24-11-14(20)21-6-22-15(11)26(17)16-13(29)12(28)10(5-27)30-16/h1-4,6,10,12-13,16,27-29H,5H2,(H,24,25)(H2,20,21,22)/t10-,12-,13+,16+/m1/s1
InChIK	DCVZMPNQAMHMMK-KBNOKHGBSA-N
TotalMolweight	454.273
Molweight	454.273
MonoisotopicMass	453.071907
CLogP	3.0232
CLogS	-5.601
H Acceptors	11
H Donors	5
TotalSurfaceArea	307.99
Relative PSA	0.41339
PolarSurfaceArea	163.93
Druglikeness	1.3996
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	13
Electronegative Atoms	13
StereoCenters	4
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	9
Symmetricatoms	3
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon	this enantiomer

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1 - (2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | 2 - (2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Request More Details | (2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

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