(E)-4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol

Formula:C10H12N5OCl Mutagenic:high Tumorigenic:high Reproductive Effective:low (E)-4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol is a drug-like molecule.

MolName	(E)-4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol
MolecularFormula	C10H12N5OCl
Smiles	C/C(/CO)=C\CNc1c2[nH]cnc2nc(Cl)n1
InChI	InChI=1S/C10H12ClN5O/c1-6(4-17)2-3-12-8-7-9(14-5-13-7)16-10(11)15-8/h2,5,17H,3-4H2,1H3,(H2,12,13,14,15,16)
InChIK	JABZKUYIOASMRH-UHFFFAOYSA-N
TotalMolweight	253.692
Molweight	253.692
MonoisotopicMass	253.073037
CLogP	1.568
CLogS	-2.987
H Acceptors	6
H Donors	3
TotalSurfaceArea	191.43
Relative PSA	0.3733
PolarSurfaceArea	86.72
Druglikeness	-0.43101
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	4
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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