4-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid

Formula:C10H11N4O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid is a drug-like molecule.

MolName	4-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid
MolecularFormula	C10H11N4O2Cl
Smiles	OC(CCCNc1c2[nH]ccc2nc(Cl)n1)=O
InChI	InChI=1S/C10H11ClN4O2/c11-10-14-6-3-5-12-8(6)9(15-10)13-4-1-2-7(16)17/h3,5,12H,1-2,4H2,(H,16,17)(H,13,14,15)
InChIK	XARMZYITOMIWNN-UHFFFAOYSA-N
TotalMolweight	254.676
Molweight	254.676
MonoisotopicMass	254.057053
CLogP	1.1436
CLogS	-2.437
H Acceptors	6
H Donors	3
TotalSurfaceArea	187.21
Relative PSA	0.39277
PolarSurfaceArea	90.9
Druglikeness	-0.42667
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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