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ALA4513851 Name:
4-(2-(4-(4-fluorobenzyl)piperazin-1-yl)ethyl)-2-me
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Mol. Formula:
C22H25FN4S
M.W.:
396.54
Type:
Unknown
AlogP:
4.01
Polar Surface Area:
32.26
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4483738 Name:
(E)-2-(2-(1H-indol-3-yl)vinyl)-1-methyl-4-(piperid
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Mol. Formula:
C25H26IN3
M.W.:
495.41
Type:
Unknown
AlogP:
5.31
Polar Surface Area:
22.91
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4476798 Name:
(S)-N-((3-(4-(4-(2-bromophenylamino)piperidin-1-yl
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Mol. Formula:
C23H26BrFN4O3
M.W.:
505.39
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
73.91
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4474315 Name:
(S)-N-((3-(3-fluoro-4-(4-(4-isopropylphenylamino)p
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Mol. Formula:
C26H33FN4O3
M.W.:
468.57
Type:
Unknown
AlogP:
4.49
Polar Surface Area:
73.91
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4474184 Name:
N-((2R,4R)-2-((R)-((2S,3R,4S,5R)-5-(aminomethyl)-3
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Mol. Formula:
C21H33N5O10
M.W.:
515.52
Type:
Unknown
AlogP:
-4.80
Polar Surface Area:
230.62
HBA:
13
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4539344 Name:
(S,E)-N-((3-(2-fluoro-4'-(3-morpholino-3-oxoprop-1
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Mol. Formula:
C25H26FN3O5
M.W.:
467.50
Type:
Unknown
AlogP:
2.83
Polar Surface Area:
88.18
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4538782 Name:
(S)-N-((3-(2-fluoro-4'-(morpholine-4-carbonyl)-[1,
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Mol. Formula:
C23H24FN3O5
M.W.:
441.46
Type:
Unknown
AlogP:
2.43
Polar Surface Area:
88.18
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4537713 Name:
(S)-N-((3-(4-(4-(benzylamino)piperidin-1-yl)-3-flu
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Mol. Formula:
C24H29FN4O3
M.W.:
440.52
Type:
Unknown
AlogP:
3.05
Polar Surface Area:
73.91
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4536307 Name:
2,4-bis(4-bromophenyl)-6-(4-(piperidin-1-yl)styryl
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Mol. Formula:
C30H26BBr2F4NO
M.W.:
663.16
Type:
Unknown
AlogP:
9.58
Polar Surface Area:
14.54
HBA:
1
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4524967 Name:
(S)-N-((3-(4-(4-((4-bromophenyl)(methyl)amino)pipe
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Mol. Formula:
C24H28BrFN4O3
M.W.:
519.42
Type:
Unknown
AlogP:
4.15
Polar Surface Area:
65.12
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4524065 Name:
mersacidin
Mol. Formula:
C80H120N20O21S4
M.W.:
1826.23
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4531721 Name:
12',13'-E-14',15'-Dihydrobacillaene B
Mol. Formula:
C40H60N2O11
M.W.:
744.92
Type:
Unknown
AlogP:
3.28
Polar Surface Area:
215.11
HBA:
10
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4561349 Name:
(E)-2,4-bis(4-bromophenyl)-6-(4-(diethylamino)styr
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Mol. Formula:
C29H26BBr2F4NO
M.W.:
651.15
Type:
Unknown
AlogP:
9.44
Polar Surface Area:
14.54
HBA:
1
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4560032 Name:
(E)-2-(2-(1H-indol-2-yl)vinyl)-1-methyl-4-((2-(pip
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Mol. Formula:
C27H31IN4
M.W.:
538.48
Type:
Unknown
AlogP:
5.21
Polar Surface Area:
34.94
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4556879 Name:
(S)-N-((3-(2-fluoro-4'-(pyrrolidine-1-carbonyl)-[1
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Mol. Formula:
C23H24FN3O4
M.W.:
425.46
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
78.95
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4553174 Name:
(S)-N-((3-(3-fluoro-4-(4-(4-fluorophenylamino)pipe
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Mol. Formula:
C23H26F2N4O3
M.W.:
444.48
Type:
Unknown
AlogP:
3.51
Polar Surface Area:
73.91
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4518396 Name:
(S)-N-((3-(4-(4-(3-bromophenylamino)piperidin-1-yl
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Mol. Formula:
C23H26BrFN4O3
M.W.:
505.39
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
73.91
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4518281 Name:
(2S,5S,6S)-2-[(S)-[(2S,3R,4S,5R)-5-(aminomethyl)-3
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Mol. Formula:
C38H65N5O12
M.W.:
783.96
Type:
Unknown
AlogP:
0.71
Polar Surface Area:
259.13
HBA:
14
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4515543 Name:
N-((2S,4S)-2-((S)-((2S,3R,4S,5R)-5-(aminomethyl)-3
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Mol. Formula:
C21H33N5O10
M.W.:
515.52
Type:
Unknown
AlogP:
-4.80
Polar Surface Area:
230.62
HBA:
13
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4547564 Name:
(E)-2-(2-(1H-indol-2-yl)vinyl)-1-methyl-4-(4-methy
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Mol. Formula:
C26H28IN3
M.W.:
509.44
Type:
Unknown
AlogP:
5.55
Polar Surface Area:
22.91
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
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