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ALA5202029 Name:
3-ethyl-N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-Show More⌵
Mol. Formula:
C19H21N5O2
M.W.:
351.41
Type:
---
AlogP:
2.64
Polar Surface Area:
92.67
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5182403 Name:
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3,Show More⌵
Mol. Formula:
C19H21N5O2
M.W.:
351.41
Type:
---
AlogP:
2.70
Polar Surface Area:
92.67
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4764550 Name:
NA
Mol. Formula:
C207H303N63O72S7
M.W.:
5050.54
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4762540 Name:
NA
Mol. Formula:
C205H300N58O66S7
M.W.:
4857.46
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4753825 Name:
NA
Mol. Formula:
C245H386N68O89S6
M.W.:
5900.57
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4751178 Name:
NA
Mol. Formula:
C208H304N58O68S6
M.W.:
4897.46
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4748140 Name:
(3S,6S,9S,12R,15S,18S,21S,24R,27S,30S,33S,36S,39S,42R,45R,48S)-1-amino-30-(Show More⌵
Mol. Formula:
C103H148N26O29
M.W.:
2214.47
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4457859 Name:
(4S)-4-[[2-[[(1S,4S,7S,10S,13S,16S,19S,22S,25S,28R,33S,36S,39S,42S,45S,48S,Show More⌵
Mol. Formula:
C258H385N65O77S6
M.W.:
5821.70
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4226003 Name:
(5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S)-20-((1H-indol-3-yl)methyl)-Show More⌵
Mol. Formula:
C185H262N46O63S2
M.W.:
4202.52
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3822475 Name:
5-Chloro-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-Show More⌵
Mol. Formula:
C28H36ClN7O3S
M.W.:
586.16
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
102.93
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3822499 Name:
1-(2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-yl)Show More⌵
Mol. Formula:
C29H38ClN7O2
M.W.:
552.12
Type:
Small molecule
AlogP:
4.90
Polar Surface Area:
89.02
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA3824301 Name:
1-(2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-yl)Show More⌵
Mol. Formula:
C29H36ClN7O2
M.W.:
550.11
Type:
Small molecule
AlogP:
5.04
Polar Surface Area:
85.86
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3822672 Name:
2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-yl)pheShow More⌵
Mol. Formula:
C29H39ClN8O3S
M.W.:
615.20
Type:
Small molecule
AlogP:
4.09
Polar Surface Area:
106.17
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3823016 Name:
2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-yl)pheShow More⌵
Mol. Formula:
C30H39ClN8O2
M.W.:
579.15
Type:
Small molecule
AlogP:
4.54
Polar Surface Area:
89.10
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3824246 Name:
2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-yl)pheShow More⌵
Mol. Formula:
C28H35ClN8O2
M.W.:
551.10
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
111.88
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3823045 Name:
5-chloro-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-Show More⌵
Mol. Formula:
C28H36ClN7O2
M.W.:
538.10
Type:
Small molecule
AlogP:
4.85
Polar Surface Area:
78.02
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3823864 Name:
2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-yl)pheShow More⌵
Mol. Formula:
C28H33ClN8O
M.W.:
533.08
Type:
Small molecule
AlogP:
4.71
Polar Surface Area:
92.58
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3822664 Name:
5-Chloro-N4-(2-iodophenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperShow More⌵
Mol. Formula:
C27H33ClIN7O
M.W.:
633.97
Type:
Small molecule
AlogP:
5.45
Polar Surface Area:
68.79
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3824185 Name:
5-Chloro-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-Show More⌵
Mol. Formula:
C27H34ClN7O
M.W.:
508.07
Type:
Small molecule
AlogP:
4.84
Polar Surface Area:
68.79
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3823224 Name:
(2-((5-Chloro-2-((2-isopropoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-ylShow More⌵
Mol. Formula:
C31H43ClN7O2P
M.W.:
612.16
Type:
Small molecule
AlogP:
5.87
Polar Surface Area:
85.86
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
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