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ALA5219125 Name:
[4-[[4-amino-6-(5-chloro-2-ethoxy-phenyl)-1,3,5-triazin-2-yl]amino]phenyl]mShow More⌵
Mol. Formula:
C18H18ClN5O2
M.W.:
371.83
Type:
---
AlogP:
3.41
Polar Surface Area:
106.18
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3217177 Name:
(Z)-1-(3-(dimethylamino)propyl)-3-((4-(4-ethylpiperazine-1-carbonyl)-3,5-diShow More⌵
Mol. Formula:
C27H38Cl2FN5O2
M.W.:
554.54
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
62.89
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA3216969 Name:
(Z)-3-((3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl)methyShow More⌵
Mol. Formula:
C26H36Cl2FN5O2
M.W.:
540.51
Type:
Small molecule
AlogP:
3.00
Polar Surface Area:
62.89
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3216968 Name:
(Z)-N-(2-(dimethylamino)ethyl)-5-((1-(3-(dimethylamino)propyl)-5-fluoro-2-oShow More⌵
Mol. Formula:
C25H36Cl2FN5O2
M.W.:
528.50
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
71.68
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3216512 Name:
(Z)-5-chloro-1-(3-(dimethylamino)propyl)-3-((4-(4-ethylpiperazine-1-carbonyShow More⌵
Mol. Formula:
C27H39Cl4N5O2
M.W.:
607.45
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
62.89
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA3216511 Name:
(Z)-5-chloro-3-((3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2Show More⌵
Mol. Formula:
C26H37Cl4N5O2
M.W.:
593.43
Type:
Small molecule
AlogP:
3.51
Polar Surface Area:
62.89
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA3216294 Name:
(Z)-5-((5-chloro-1-(3-(dimethylamino)propyl)-2-oxoindolin-3-ylidene)methyl)Show More⌵
Mol. Formula:
C25H37Cl4N5O2
M.W.:
581.42
Type:
Small molecule
AlogP:
3.42
Polar Surface Area:
71.68
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3216086 Name:
(Z)-N-(2-(diethylamino)ethyl)-5-((1-(3-(dimethylamino)propyl)-5-fluoro-2-oxShow More⌵
Mol. Formula:
C27H40Cl2FN5O2
M.W.:
556.55
Type:
Small molecule
AlogP:
3.68
Polar Surface Area:
71.68
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3215854 Name:
(Z)-5-((5-chloro-1-(3-(dimethylamino)propyl)-2-oxoindolin-3-ylidene)methyl)Show More⌵
Mol. Formula:
C27H41Cl4N5O2
M.W.:
609.47
Type:
Small molecule
AlogP:
4.20
Polar Surface Area:
71.68
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3142775 Name:
(2R,3S,5R)-5-(6-Amino-2-chloro-purin-7-yl)-4-fluoro-2-hydroxymethyl-tetrahyShow More⌵
Mol. Formula:
C10H11ClFN5O3
M.W.:
303.68
Type:
Small molecule
AlogP:
-0.35
Polar Surface Area:
119.31
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA1782685 Name:
(Z)-5-chloro-3-((3,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl)methShow More⌵
Mol. Formula:
C26H34Cl2N4O2
M.W.:
505.49
Type:
Small molecule
AlogP:
4.75
Polar Surface Area:
59.65
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA1782684 Name:
(Z)-3-((3,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)-1-Show More⌵
Mol. Formula:
C26H34ClFN4O2
M.W.:
489.04
Type:
Small molecule
AlogP:
4.24
Polar Surface Area:
59.65
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1782683 Name:
(Z)-3-((3,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)-1Show More⌵
Mol. Formula:
C25H32ClFN4O2
M.W.:
475.01
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
59.65
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA1782678 Name:
(Z)-5-((5-chloro-1-(3-(dimethylamino)propyl)-2-oxoindolin-3-ylidene)methyl)Show More⌵
Mol. Formula:
C25H34Cl2N4O2
M.W.:
493.48
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
59.65
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA1782677 Name:
(Z)-5-((1-(3-(dimethylamino)propyl)-5-fluoro-2-oxoindolin-3-ylidene)methyl)Show More⌵
Mol. Formula:
C25H34ClFN4O2
M.W.:
477.02
Type:
Small molecule
AlogP:
4.09
Polar Surface Area:
59.65
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA1782676 Name:
(Z)-5-((5-chloro-1-(3-(dimethylamino)propyl)-2-oxoindolin-3-ylidene)methyl)Show More⌵
Mol. Formula:
C23H30Cl2N4O2
M.W.:
465.43
Type:
Small molecule
AlogP:
3.83
Polar Surface Area:
59.65
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA1782675 Name:
(Z)-5-((1-(3-(dimethylamino)propyl)-5-fluoro-2-oxoindolin-3-ylidene)methyl)Show More⌵
Mol. Formula:
C23H30ClFN4O2
M.W.:
448.97
Type:
Small molecule
AlogP:
3.31
Polar Surface Area:
59.65
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA1782671 Name:
(Z)-5-chloro-3-((3,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)metShow More⌵
Mol. Formula:
C25H32Cl2N4O2
M.W.:
491.46
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
59.65
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
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