Type:
---AlogP:
1.70Polar Surface Area:
97.33HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
0.62Polar Surface Area:
246.40HBA:
16HBD:
3#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.12DETAILS
ALA5220127Name:
N-ethyl-2,4-dihydroxy-5-isopropyl-N-(quinolin-3-yl)benzamideMol. Formula:
C21H22N2O3M.W.:
350.42Type:
---AlogP:
4.44Polar Surface Area:
73.66HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
---AlogP:
3.86Polar Surface Area:
73.12HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
---AlogP:
5.51Polar Surface Area:
101.51HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS- ALA5280129
Name:
(123I)-1-(2-Hydroxyethyl)-1-(3-iodobenzyl)pyrrolidin-1-ium MethanesulfonateMol. Formula:
C14H22INO4SM.W.:
423.31Type:
---AlogP:
2.39Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA5279967
Name:
6alpha,7alpha-epoxy-17-oxa-D-homoandrostan-1,4-diene-3,16-dioneMol. Formula:
C19H22O4M.W.:
314.38Type:
---AlogP:
2.43Polar Surface Area:
55.90HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5277785
Name:
4,4'-(3-methyl-4-phenylthieno[2,3-b]thiophene-2,5-diyl)bis(thiazol-2-amine)Mol. Formula:
C19H14N4S4M.W.:
426.62Type:
---AlogP:
6.35Polar Surface Area:
77.82HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
3.87Polar Surface Area:
97.85HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA5275898
Name:
4-(2-(6-bromopyridin-2-yl)vinyl)benzene-1,2-diolMol. Formula:
C13H10BrNO2M.W.:
292.13Type:
---AlogP:
3.43Polar Surface Area:
53.35HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
---AlogP:
6.42Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
---AlogP:
5.96Polar Surface Area:
78.19HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
---AlogP:
3.31Polar Surface Area:
97.36HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
---AlogP:
16.34Polar Surface Area:
126.60HBA:
11HBD:
---#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.08DETAILS - ALA5290778
Name:
N-(benzo[d]thiazol-2-yl)-2-hydroxy-6,7-dimethylquinoline-4-carboxamideMol. Formula:
C19H15N3O2SM.W.:
349.42Type:
---AlogP:
4.42Polar Surface Area:
75.11HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA5289831
Name:
N-hydroxy-3-(4-((7-methyl-4-oxoquinazolin-3(4H)-yl)methyl)phenyl)acrylamideMol. Formula:
C19H17N3O3M.W.:
335.36Type:
---AlogP:
2.27Polar Surface Area:
84.22HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA5289084
Name:
N-hydroxy-4-(3-(hydroxyimino)-5-methyl-2-oxoindolin-1-yl)butanamideMol. Formula:
C13H15N3O4M.W.:
277.28Type:
---AlogP:
0.81Polar Surface Area:
102.23HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS
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