Type:
---AlogP:
3.14Polar Surface Area:
80.81HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
---AlogP:
5.67Polar Surface Area:
126.61HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
---AlogP:
2.31Polar Surface Area:
56.79HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS
Type:
---AlogP:
4.70Polar Surface Area:
94.75HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA5286716Name:
(S)-(2,7-dimethoxy-9-((pyrrolidin-3-ylmethyl)thio)acridin-4-yl)methanolMol. Formula:
C21H24N2O3SM.W.:
384.50Type:
---AlogP:
3.60Polar Surface Area:
63.61HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS-
Type:
---AlogP:
4.55Polar Surface Area:
64.42HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
---AlogP:
2.25Polar Surface Area:
97.19HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA5284529
Name:
N-(1H-indazol-5-yl)-2-(phenylamino)thiazole-4-carboxamideMol. Formula:
C17H13N5OSM.W.:
335.39Type:
---AlogP:
4.02Polar Surface Area:
82.70HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
---AlogP:
3.44Polar Surface Area:
66.38HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
---AlogP:
3.94Polar Surface Area:
63.05HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA5288595
Name:
N-(5-(5-methoxybenzo[d]thiazol-2-yl)pyridin-3-yl)acetamideMol. Formula:
C15H13N3O2SM.W.:
299.36Type:
---AlogP:
3.33Polar Surface Area:
64.11HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
---AlogP:
3.87Polar Surface Area:
70.81HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
---AlogP:
1.77Polar Surface Area:
73.92HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA5208358
Name:
2-(1-Methylethylsulfanyl)-10-nitropyrido[3,4-g]quinazolineMol. Formula:
C14H12N4O2SM.W.:
300.34Type:
---AlogP:
3.59Polar Surface Area:
81.81HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA5202187
Name:
2-(Ethylsulfanyl)pyrido[3,4-g]quinazolin-10-amineMol. Formula:
C13H12N4SM.W.:
256.33Type:
---AlogP:
2.87Polar Surface Area:
64.69HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA5198391
Name:
2-(Butylsulfanyl)-10-nitropyrido[3,4-g]quinazolineMol. Formula:
C15H14N4O2SM.W.:
314.37Type:
---AlogP:
3.98Polar Surface Area:
81.81HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA5198375
Name:
2-(Propylsulfanyl)-10-nitropyrido[3,4-g]quinazolineMol. Formula:
C14H12N4O2SM.W.:
300.34Type:
---AlogP:
3.59Polar Surface Area:
81.81HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA5196946
Name:
2-(Ethylsulfanyl)-10-nitropyrido[3,4-g]quinazolineMol. Formula:
C13H10N4O2SM.W.:
286.32Type:
---AlogP:
3.20Polar Surface Area:
81.81HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA5194011
Name:
2-(Propylsulfanyl)pyrido[3,4-g]quinazolin-10-amineMol. Formula:
C14H14N4SM.W.:
270.36Type:
---AlogP:
3.26Polar Surface Area:
64.69HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA5192036
Name:
2,10-Bis(methylsulfanyl)pyrido[3,4-g]quinazolineMol. Formula:
C13H11N3S2M.W.:
273.39Type:
---AlogP:
3.62Polar Surface Area:
38.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS
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