Type:
---AlogP:
4.54Polar Surface Area:
152.08HBA:
11HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
---AlogP:
1.20Polar Surface Area:
57.78HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILS
ALA5207118Name:
1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)prop-2-en-1-oneMol. Formula:
C10H10N2O2M.W.:
190.20Type:
---AlogP:
0.99Polar Surface Area:
42.43HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.62DETAILS
ALA5194373Name:
1-(6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl)prop-2-en-1-oneMol. Formula:
C9H10N2OSM.W.:
194.26Type:
---AlogP:
1.21Polar Surface Area:
33.20HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.63DETAILS
ALA5190675Name:
N-(6,7-dihydro-4H-pyrano[4,3-d]thiazol-2-yl)prop-2-enamideMol. Formula:
C9H10N2O2SM.W.:
210.26Type:
---AlogP:
1.34Polar Surface Area:
51.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS- ALA5190270
Name:
N-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethenesulfonamideMol. Formula:
C9H9N3O2SM.W.:
223.26Type:
---AlogP:
1.45Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
---AlogP:
1.37Polar Surface Area:
57.78HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.74DETAILS -
Type:
---AlogP:
1.45Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA5188071
Name:
1-[2-(3-methylimidazol-4-yl)-1-piperidyl]prop-2-en-1-oneMol. Formula:
C12H17N3OM.W.:
219.29Type:
---AlogP:
1.66Polar Surface Area:
38.13HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.71DETAILS -
Type:
---AlogP:
1.38Polar Surface Area:
46.92HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.79DETAILS -
Type:
---AlogP:
1.42Polar Surface Area:
57.78HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.77DETAILS -
Type:
---AlogP:
4.46Polar Surface Area:
144.24HBA:
11HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
---AlogP:
0.91Polar Surface Area:
54.88HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.66DETAILS - ALA5184100
Name:
N-(3-methylisoxazolo[5,4-b]pyridin-5-yl)prop-2-enamideMol. Formula:
C10H9N3O2M.W.:
203.20Type:
---AlogP:
1.66Polar Surface Area:
68.02HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
---AlogP:
5.13Polar Surface Area:
101.06HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
---AlogP:
1.38Polar Surface Area:
46.92HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.79DETAILS -
Type:
---AlogP:
2.49Polar Surface Area:
288.72HBA:
7HBD:
13#RO5 Violations:
2#Rotatable Bonds:
28Passes Ro3:
NQED Weighted:
0.03DETAILS -
Type:
---AlogP:
4.48Polar Surface Area:
86.46HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
---AlogP:
1.13Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
---AlogP:
4.87Polar Surface Area:
116.02HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.18DETAILS
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