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ALA5205905 Name:
(5Z)-5-(4-Hydroxy-3-methoxy)benzylidene-2-[(4-(piperazin-1-yl)-phenyl)aminoShow More⌵
Mol. Formula:
C21H23N5O3
M.W.:
393.45
Type:
---
AlogP:
1.75
Polar Surface Area:
98.22
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5203292 Name:
(5Z)-5-(1,3-Benzodioxol-5-ylmethylene)-2-amino-3,5-dihydro-4H-imidazol-4-onShow More⌵
Mol. Formula:
C11H9N3O3
M.W.:
231.21
Type:
---
AlogP:
0.20
Polar Surface Area:
85.94
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5202202 Name:
(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(4-(piperazin-1-yl)-phenyl)aminShow More⌵
Mol. Formula:
C21H21N5O3
M.W.:
391.43
Type:
---
AlogP:
1.76
Polar Surface Area:
87.22
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5201763 Name:
(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-(piperidin-1-yl)-3,5-dihydro-4H-Show More⌵
Mol. Formula:
C16H17N3O3
M.W.:
299.33
Type:
---
AlogP:
1.73
Polar Surface Area:
63.16
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5200677 Name:
(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-methylamino-3,5-dihydro-4H-imidaShow More⌵
Mol. Formula:
C12H11N3O3
M.W.:
245.24
Type:
---
AlogP:
0.46
Polar Surface Area:
71.95
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5199422 Name:
(5Z)-5-[(2,2-d2)-1,3-benzodioxol-5-ylmethylidene]-2-(phenylamino)-3,5-dihydShow More⌵
Mol. Formula:
C17H13N3O3
M.W.:
309.32
Type:
---
AlogP:
2.35
Polar Surface Area:
71.95
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5209464 Name:
(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(4-pentyloxy-phenyl)amino]-3,5-Show More⌵
Mol. Formula:
C22H23N3O4
M.W.:
393.44
Type:
---
AlogP:
3.92
Polar Surface Area:
81.18
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5208980 Name:
(5Z)-5-(2,3-Dihydro-1-benzofuran-5-ylmethylidene)-2-phenylamino-3,5-dihydroShow More⌵
Mol. Formula:
C18H15N3O2
M.W.:
305.34
Type:
---
AlogP:
2.56
Polar Surface Area:
62.72
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5207974 Name:
(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-2-phenylamino-3,5-dihydro-4Show More⌵
Mol. Formula:
C19H17N3O2
M.W.:
319.36
Type:
---
AlogP:
2.95
Polar Surface Area:
62.72
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5207630 Name:
(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-(morpholin-4-yl)-3,5-dihydro-4H-Show More⌵
Mol. Formula:
C15H15N3O4
M.W.:
301.30
Type:
---
AlogP:
0.57
Polar Surface Area:
72.39
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA5206744 Name:
(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-(pyridin-2-ylamino)-3,5-dihydro-Show More⌵
Mol. Formula:
C16H12N4O3
M.W.:
308.30
Type:
---
AlogP:
1.75
Polar Surface Area:
84.84
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA5206143 Name:
(5Z)-5-(1,3-Benzodioxol-5-ylmethylene)-2-(propylthio)-3,5-dihydro-4H-imidazShow More⌵
Mol. Formula:
C14H14N2O3S
M.W.:
290.34
Type:
---
AlogP:
2.39
Polar Surface Area:
59.92
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA5196066 Name:
(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(3-fluoro-phenyl)amino]-3,5-dihShow More⌵
Mol. Formula:
C17H12FN3O3
M.W.:
325.30
Type:
---
AlogP:
2.49
Polar Surface Area:
71.95
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA5195216 Name:
(5Z)-5-(1,4-Benzodioxin-6-ylmethylidene)-2-[(4-(4-methyl-piperazin-1-yl)-phShow More⌵
Mol. Formula:
C23H23N5O3
M.W.:
417.47
Type:
---
AlogP:
2.53
Polar Surface Area:
78.43
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5195122 Name:
(5Z)-5-(4-Hydroxy-3-methoxybenzylidene)-2-phenylamino-3,5-dihydro-4H-imidazShow More⌵
Mol. Formula:
C17H15N3O3
M.W.:
309.32
Type:
---
AlogP:
2.34
Polar Surface Area:
82.95
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5194689 Name:
(5Z)-5-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylamino-3,5-dihyShow More⌵
Mol. Formula:
C18H15N3O3
M.W.:
321.34
Type:
---
AlogP:
2.40
Polar Surface Area:
71.95
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA5194491 Name:
(5Z)-5-(1,3-Benzodioxol-5-ylmethylene)-3-methyl-2-(propylthio)-3,5-dihydro-Show More⌵
Mol. Formula:
C15H16N2O3S
M.W.:
304.37
Type:
---
AlogP:
2.73
Polar Surface Area:
51.13
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA5193677 Name:
(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-(piperidin-4-ylamino)-3,5-dihydrShow More⌵
Mol. Formula:
C16H18N4O3
M.W.:
314.35
Type:
---
AlogP:
0.58
Polar Surface Area:
83.98
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5193292 Name:
(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-{[(4-piperidin-1-yl)-phenyl]aminShow More⌵
Mol. Formula:
C22H22N4O3
M.W.:
390.44
Type:
---
AlogP:
3.34
Polar Surface Area:
75.19
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA5191942 Name:
(5Z)-5-(3,4-Dihydroxybenzylidene)-2-phenylamino-3,5-dihydro-4H-imidazol-4-oShow More⌵
Mol. Formula:
C16H13N3O3
M.W.:
295.30
Type:
---
AlogP:
2.04
Polar Surface Area:
93.95
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
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