Type:
---AlogP:
5.35Polar Surface Area:
83.29HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
---AlogP:
3.04Polar Surface Area:
103.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
---AlogP:
3.55Polar Surface Area:
103.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA5198298Name:
2-amino-5-(4-chloro-7-methyl-2-oxoindolin-3-ylidene)thiazol-4(5H)-oneMol. Formula:
C12H8ClN3O2SM.W.:
293.74Type:
---AlogP:
1.90Polar Surface Area:
84.55HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.72DETAILS
ALA5197767Name:
N-(3-cyano-1-allyl-1H-indol-5-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamideMol. Formula:
C17H13N5O2M.W.:
319.32Type:
---AlogP:
2.03Polar Surface Area:
103.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS-
Type:
---AlogP:
6.03Polar Surface Area:
64.68HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
---AlogP:
2.52Polar Surface Area:
105.33HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA5197541
Name:
2-amino-5-(6-chloro-7-methyl-2-oxoindolin-3-ylidene)thiazol-4(5H)-oneMol. Formula:
C12H8ClN3O2SM.W.:
293.74Type:
---AlogP:
1.90Polar Surface Area:
84.55HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA5197417
Name:
(Z)-3-((2-amino-4-oxothiazol-5(4H)-ylidene)methyl)phenyl 4-methylbenzoateMol. Formula:
C18H14N2O3SM.W.:
338.39Type:
---AlogP:
3.14Polar Surface Area:
81.75HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
---AlogP:
1.39Polar Surface Area:
103.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
---AlogP:
3.91Polar Surface Area:
81.75HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
---AlogP:
1.97Polar Surface Area:
107.45HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA5196996
Name:
2-[4-(4-bromobenzyloxy)-3-cyano]phenylpyrimidine-4-carboxylic acidMol. Formula:
C19H12BrN3O3M.W.:
410.23Type:
---AlogP:
4.05Polar Surface Area:
96.10HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5196602
Name:
6-(3-cyano-4-isobutoxyphenyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-oneMol. Formula:
C16H15N5O2M.W.:
309.33Type:
---AlogP:
2.22Polar Surface Area:
107.45HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
---AlogP:
5.37Polar Surface Area:
81.70HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA5196401
Name:
(Z)-3-((2-amino-4-oxothiazol-5(4H)-ylidene)methyl)phenyl 4-chlorobenzoateMol. Formula:
C17H11ClN2O3SM.W.:
358.81Type:
---AlogP:
3.49Polar Surface Area:
81.75HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA5196248
Name:
butyl 3-(4-(((4-chlorophenyl)sulfonyl)oxy)-3-methoxyphenyl)acrylateMol. Formula:
C20H21ClO6SM.W.:
424.90Type:
---AlogP:
4.47Polar Surface Area:
78.90HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
---AlogP:
2.43Polar Surface Area:
103.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
---AlogP:
2.91Polar Surface Area:
112.80HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
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