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ALA5219601 Name:
2-((3S,6S,12S,17S)-17-carbamoyl-3-cyclohexyl-12-(3-guanidinopropyl)-4-methyShow More⌵
Mol. Formula:
C26H43N9O8
M.W.:
609.69
Type:
---
AlogP:
-3.02
Polar Surface Area:
279.00
HBA:
8
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5221029 Name:
2-((3S,6S,12S,17S)-17-carbamoyl-3-cyclohexyl-12-(3-guanidinopropyl)-7-methyShow More⌵
Mol. Formula:
C26H43N9O8
M.W.:
609.69
Type:
---
AlogP:
-3.02
Polar Surface Area:
279.00
HBA:
8
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5220898 Name:
2-((3S,6S,12S,17S)-17-carbamoyl-3-cyclohexyl-12-(3-guanidinopropyl)-13-methShow More⌵
Mol. Formula:
C26H43N9O8
M.W.:
609.69
Type:
---
AlogP:
-3.02
Polar Surface Area:
279.00
HBA:
8
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5220791 Name:
2-((3S,6S,12S,17S)-17-carbamoyl-3-cyclohexyl-12-(3-guanidinopropyl)-10-methShow More⌵
Mol. Formula:
C26H43N9O8
M.W.:
609.69
Type:
---
AlogP:
-3.02
Polar Surface Area:
279.00
HBA:
8
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5220367 Name:
2-((3S,6S,12S,17S)-17-carbamoyl-3-cyclohexyl-12-(3-guanidinopropyl)-2,5,8,1Show More⌵
Mol. Formula:
C25H41N9O8
M.W.:
595.66
Type:
---
AlogP:
-3.36
Polar Surface Area:
287.79
HBA:
8
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5219297 Name:
2-((3S,6S,12S,17S)-17-carbamoyl-3-cyclohexyl-12-(3-guanidinopropyl)-1-methyShow More⌵
Mol. Formula:
C26H43N9O8
M.W.:
609.69
Type:
---
AlogP:
-3.02
Polar Surface Area:
279.00
HBA:
8
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5200205 Name:
(2S)-2-[(7-fluoroquinazolin-4-yl)amino]-4-[2-methoxyethyl-[4-(5,6,7,8-tetraShow More⌵
Mol. Formula:
C27H35FN6O3
M.W.:
510.61
Type:
---
AlogP:
3.75
Polar Surface Area:
112.50
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5187174 Name:
(2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]aShow More⌵
Mol. Formula:
C28H35F3N6O3
M.W.:
560.62
Type:
---
AlogP:
4.63
Polar Surface Area:
112.50
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5184704 Name:
(2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]aShow More⌵
Mol. Formula:
C26H36N8O3
M.W.:
508.63
Type:
---
AlogP:
2.64
Polar Surface Area:
130.32
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5181513 Name:
(2S)-4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylShow More⌵
Mol. Formula:
C28H38N6O3
M.W.:
506.65
Type:
---
AlogP:
4.00
Polar Surface Area:
112.50
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5170674 Name:
(2S)-4-[3,3-difluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butShow More⌵
Mol. Formula:
C27H34F2N6O2
M.W.:
512.61
Type:
---
AlogP:
4.62
Polar Surface Area:
103.27
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
bexotegrast Name:
BEXOTEGRAST
Mol. Formula:
C27H36N6O3
M.W.:
492.62
Type:
Small molecule
AlogP:
3.61
Polar Surface Area:
111.97
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4780301 Name:
2-((3S,6S,9S,15S,18S,21S,24S,29aS)-3-(4-aminobutyl)-6,24-dibenzyl-9-(3-guanShow More⌵
Mol. Formula:
C51H75N13O11
M.W.:
1046.24
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4592010 Name:
Rac-3-(3-Chlorophenyl)-3-((5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)eShow More⌵
Mol. Formula:
C23H24ClN5O3
M.W.:
453.93
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
109.26
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4588580 Name:
Rac-3-(4-Chlorophenyl)-3-((5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)eShow More⌵
Mol. Formula:
C24H25ClN4O3
M.W.:
452.94
Type:
Unknown
AlogP:
4.74
Polar Surface Area:
96.37
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4573716 Name:
(3S)-3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)-4-((1R,3R)-1-methyl-3-(2-(5Show More⌵
Mol. Formula:
C30H39N5O2
M.W.:
501.68
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
82.87
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
GSK2603566A Name:
Rac-3-(3-Cyclopropylphenyl)-3-((5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2Show More⌵
Mol. Formula:
C27H30N4O3
M.W.:
458.56
Type:
Unknown
AlogP:
4.96
Polar Surface Area:
96.37
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4547961 Name:
Rac-3-(3-Fluorophenyl)-3-((5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)eShow More⌵
Mol. Formula:
C24H25FN4O3
M.W.:
436.49
Type:
Unknown
AlogP:
4.22
Polar Surface Area:
96.37
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4543688 Name:
Rac-3-(3-Chlorophenyl)-3-((5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)eShow More⌵
Mol. Formula:
C23H24ClN5O3
M.W.:
453.93
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
109.26
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4539942 Name:
Rac-3-(4-Chlorophenyl)-3-((6-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)eShow More⌵
Mol. Formula:
C23H24ClN5O3
M.W.:
453.93
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
109.26
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
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