ALA2336388Name:
6-guanidino-2-[2-(2R)-(hydroxymethyl)pyrrolidin-1-yl]-9-isopropyl-9H-purineMol. Formula:
C14H22N8OM.W.:
318.39Type:
Small moleculeAlogP:
0.67Polar Surface Area:
128.97HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA2336387Name:
6-Guanidino-9-isopropyl-2-(2R)-(pyrrolidin-2-ylmethoxy)-9H-purineMol. Formula:
C14H22N8OM.W.:
318.39Type:
Small moleculeAlogP:
0.84Polar Surface Area:
126.76HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA2336386Name:
6-guanidino-2-[2-(2S)-(hydroxymethyl)pyrrolidin-1-yl]-9-isopropyl-9H-purineMol. Formula:
C14H22N8OM.W.:
318.39Type:
Small moleculeAlogP:
0.67Polar Surface Area:
128.97HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA2336385Name:
6-Guanidino-9-isopropyl-2-(2S)-(pyrrolidin-2-ylmethoxy)-9H-purineMol. Formula:
C14H22N8OM.W.:
318.39Type:
Small moleculeAlogP:
0.84Polar Surface Area:
126.76HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA2336384Name:
2-Cyclopropylamino-6-guanidino-9-isopropyl-9H-purineMol. Formula:
C12H18N8M.W.:
274.33Type:
Small moleculeAlogP:
1.29Polar Surface Area:
117.53HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS-
Type:
Small moleculeAlogP:
1.14Polar Surface Area:
137.76HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA2336382
Name:
2-{[(2S)-2-Amino-3-methylbutyl]oxy}-6-guanidino-9-isopropyl-9H-purineMol. Formula:
C14H24N8OM.W.:
320.40Type:
Small moleculeAlogP:
1.07Polar Surface Area:
140.75HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
1.14Polar Surface Area:
137.76HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA2336380
Name:
2-{[(2R)-2-Amino-3-methylbutyl]oxy}-6-guanidino-9-isopropyl-9H-purineMol. Formula:
C14H24N8OM.W.:
320.40Type:
Small moleculeAlogP:
1.07Polar Surface Area:
140.75HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA2336378
Name:
(S)-1-(2-(2-aminobutoxy)-9-isopropyl-9H-purin-6-yl)guanidineMol. Formula:
C13H22N8OM.W.:
306.37Type:
Small moleculeAlogP:
0.83Polar Surface Area:
140.75HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA2336376
Name:
(R)-1-(2-(2-aminobutoxy)-9-isopropyl-9H-purin-6-yl)guanidineMol. Formula:
C13H22N8OM.W.:
306.37Type:
Small moleculeAlogP:
0.83Polar Surface Area:
140.75HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA2336375
Name:
6-Guanidino-2-[(6-hydroxyhexyl)amino]-9-isopropyl-9H-purineMol. Formula:
C15H26N8OM.W.:
334.43Type:
Small moleculeAlogP:
1.68Polar Surface Area:
137.76HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA2336374
Name:
6-Guanidino-2-[(3-hydroxypropyl)amino]-9-isopropyl-9H-purineMol. Formula:
C12H20N8OM.W.:
292.35Type:
Small moleculeAlogP:
0.51Polar Surface Area:
137.76HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA2336373
Name:
6-Guanidino-2-[(2-hydroxyethyl)amino]-9-isopropyl-9H-purineMol. Formula:
C11H18N8OM.W.:
278.32Type:
Small moleculeAlogP:
0.12Polar Surface Area:
137.76HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA2336372
Name:
9-(2-azidoethyl)-N6,N6-dimethyl-9H-purine-2,6-diamineMol. Formula:
C9H13N9M.W.:
247.27Type:
Small moleculeAlogP:
0.78Polar Surface Area:
121.62HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
0.01Polar Surface Area:
95.64HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
0.57Polar Surface Area:
95.64HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
-0.33Polar Surface Area:
105.50HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA2336368
Name:
1-(2-amino-9-(2-azidoethyl)-9H-purin-6-yl)guanidineMol. Formula:
C8H11N11M.W.:
261.25Type:
Small moleculeAlogP:
0.02Polar Surface Area:
180.28HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA2336367
Name:
1-(2-amino-9-(2-aminoethyl)-9H-purin-6-yl)guanidineMol. Formula:
C8H13N9M.W.:
235.25Type:
Small moleculeAlogP:
-1.33Polar Surface Area:
157.54HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.33DETAILS
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