[(1S,4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol

Formula:C14H18N6O Mutagenic:none Tumorigenic:none Reproductive Effective:none [(1S,4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol is a drug-like molecule.

MolName	[(1S,4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
MolecularFormula	C14H18N6O
Smiles	Nc1nc(NC2CC2)c2ncn([C@@H]3C=C[C@@H](CO)C3)c2n1
InChI	InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
InChIK	MCGSCOLBFJQGHM-SCZZXKLOSA-N
TotalMolweight	286.338
Molweight	286.338
MonoisotopicMass	286.154209
CLogP	0.901
CLogS	-2.998
H Acceptors	7
H Donors	3
TotalSurfaceArea	211.71
Relative PSA	0.37603
PolarSurfaceArea	101.88
Druglikeness	-1.2074
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	8
Symmetricatoms	1
Aromatic Nitrogens	4
BasicNitrogens	3
StereoCon	this enantiomer

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