Type:
Small moleculeAlogP:
1.53Polar Surface Area:
124.24HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS
ALA3819017Name:
2-Amino-8-((4-fluoro-3-methylbenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C13H12FN5OSM.W.:
305.34Type:
Small moleculeAlogP:
1.97Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS
ALA3818609Name:
2-Amino-8-((3,4-difluorobenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C12H9F2N5OSM.W.:
309.30Type:
Small moleculeAlogP:
1.80Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
Small moleculeAlogP:
1.53Polar Surface Area:
124.24HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS
ALA3819098Name:
2-Amino-8-((4-fluoro-2-methylbenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C13H12FN5OSM.W.:
305.34Type:
Small moleculeAlogP:
1.97Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS-
Type:
Small moleculeAlogP:
1.53Polar Surface Area:
124.24HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA3819161
Name:
2-Amino-8-((2-fluoro-4-methoxybenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C13H12FN5O2SM.W.:
321.34Type:
Small moleculeAlogP:
1.67Polar Surface Area:
109.68HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA3818521
Name:
2-Amino-8-((2,4-difluorobenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C12H9F2N5OSM.W.:
309.30Type:
Small moleculeAlogP:
1.80Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3818561
Name:
2-Amino-8-((2-fluoro-5-methylbenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C13H12FN5OSM.W.:
305.34Type:
Small moleculeAlogP:
1.97Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3817885
Name:
2-Amino-8-((2-fluoro-3-methylbenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C13H12FN5OSM.W.:
305.34Type:
Small moleculeAlogP:
1.97Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3818245
Name:
2-Amino-8-((2,5-dimethylbenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C14H15N5OSM.W.:
301.38Type:
Small moleculeAlogP:
2.14Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3818941
Name:
2-Amino-8-((2,3-dimethylbenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C14H15N5OSM.W.:
301.38Type:
Small moleculeAlogP:
2.14Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3818653
Name:
2-Amino-8-((3,5-bis(trifluoromethyl)benzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C14H9F6N5OSM.W.:
409.31Type:
Small moleculeAlogP:
3.56Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA3818195
Name:
2-Amino-8-((3,5-dimethylbenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C14H15N5OSM.W.:
301.38Type:
Small moleculeAlogP:
2.14Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3817872
Name:
2-Amino-8-((2,6-difluorobenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C12H9F2N5OSM.W.:
309.30Type:
Small moleculeAlogP:
1.80Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3818636
Name:
2-Amino-8-((4-(trifluoromethoxy)benzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C13H10F3N5O2SM.W.:
357.32Type:
Small moleculeAlogP:
2.42Polar Surface Area:
109.68HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA3817986
Name:
2-Amino-8-((4-(trifluoromethyl)benzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C13H10F3N5OSM.W.:
341.32Type:
Small moleculeAlogP:
2.54Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3818008
Name:
2-Amino-8-((4-methoxybenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C13H13N5O2SM.W.:
303.35Type:
Small moleculeAlogP:
1.53Polar Surface Area:
109.68HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA3818002
Name:
2-Amino-8-((4-bromobenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C12H10BrN5OSM.W.:
352.22Type:
Small moleculeAlogP:
2.28Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA3819104
Name:
2-Amino-8-((4-fluorobenzyl)thio)-1,9-dihydro-6H-purin-6-oneMol. Formula:
C12H10FN5OSM.W.:
291.31Type:
Small moleculeAlogP:
1.66Polar Surface Area:
100.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS
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