Type:
---AlogP:
3.72Polar Surface Area:
60.33HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
---AlogP:
1.31Polar Surface Area:
134.41HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA5174733Name:
1-(7-(methoxy-11C)quinolin-4-yl)-3-(3-(trifluoromethyl)phenyl)ureaMol. Formula:
C18H14F3N3O2M.W.:
360.32Type:
---AlogP:
4.91Polar Surface Area:
63.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
UnknownAlogP:
3.66Polar Surface Area:
88.49HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
UnknownAlogP:
4.98Polar Surface Area:
86.80HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS- ALA4558600
Name:
2alpha-acetoxy-3beta-O-transferuloyl-19alpha-hydroxyurs-12-en-28-oic acidMol. Formula:
C42H58O9M.W.:
706.92Type:
UnknownAlogP:
7.72Polar Surface Area:
139.59HBA:
8HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
UnknownAlogP:
4.93Polar Surface Area:
71.11HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4474272
Name:
3beta-O-trans-Feruloyl-2alpha,19alpha-dihydroxyurs-12-en-28-oic acidMol. Formula:
C40H56O8M.W.:
664.88Type:
UnknownAlogP:
7.15Polar Surface Area:
133.52HBA:
7HBD:
4#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
UnknownAlogP:
3.21Polar Surface Area:
105.56HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
3.96Polar Surface Area:
73.72HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA3747661
Name:
1-(5-acetyl-4-methylthiazol-2-yl)-3-(4-methoxybenzyl)ureaMol. Formula:
C15H17N3O3SM.W.:
319.39Type:
Small moleculeAlogP:
2.98Polar Surface Area:
80.32HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA3746152
Name:
5-(3-chlorophenyl)-1,3-diphenyl-1H-benzo[f][1,2,4]triazepineMol. Formula:
C26H18ClN3M.W.:
407.90Type:
Small moleculeAlogP:
6.69Polar Surface Area:
27.96HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
3.36Polar Surface Area:
53.93HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
5.00Polar Surface Area:
27.63HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA3338886
Name:
8-methoxy-1-(4-methoxyphenyl)-3H-pyridazino[4,5-b]indol-4(5H)-oneMol. Formula:
C18H15N3O3M.W.:
321.34Type:
Small moleculeAlogP:
3.09Polar Surface Area:
80.00HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA3338885
Name:
8-methoxy-1-phenyl-3H-pyridazino[4,5-b]indol-4(5H)-oneMol. Formula:
C17H13N3O2M.W.:
291.31Type:
Small moleculeAlogP:
3.08Polar Surface Area:
70.77HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA3335124
Name:
4-benzamido-N-((trans)-4-methoxycyclohexyl)-1H-pyrazole-3-carboxamideMol. Formula:
C18H22N4O3M.W.:
342.40Type:
Small moleculeAlogP:
2.35Polar Surface Area:
96.11HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
3.59Polar Surface Area:
96.11HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
2.29Polar Surface Area:
105.34HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
2.42Polar Surface Area:
96.11HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.72DETAILS
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