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ALA4581285 Name:
(2S,4S)-1-(4-(aminomethyl)-3-methylbenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triazShow More⌵
Mol. Formula:
C33H36N6O2
M.W.:
548.69
Type:
Unknown
AlogP:
4.33
Polar Surface Area:
106.14
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4558179 Name:
((2S,4S)-1-(4-(aminomethyl)-3-methoxybenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triShow More⌵
Mol. Formula:
C29H34N6O3
M.W.:
514.63
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
106.58
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4557806 Name:
(2S,4S)-1-(4-(aminomethyl)-3-methoxybenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triaShow More⌵
Mol. Formula:
C27H32N6O3
M.W.:
488.59
Type:
Unknown
AlogP:
2.44
Polar Surface Area:
115.37
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4532092 Name:
(2S,4S)-1-(4-(aminomethyl)-3-methoxybenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triaShow More⌵
Mol. Formula:
C28H32N6O3
M.W.:
500.60
Type:
Unknown
AlogP:
2.75
Polar Surface Area:
115.37
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4475317 Name:
((2S,4S)-1-(4-(aminomethyl)-3-methoxybenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triShow More⌵
Mol. Formula:
C29H34N6O3
M.W.:
514.63
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
106.58
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4440518 Name:
(2S,4S)-1-(4-(aminomethyl)-3-fluorobenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triazShow More⌵
Mol. Formula:
C32H33FN6O2
M.W.:
552.65
Type:
Unknown
AlogP:
4.16
Polar Surface Area:
106.14
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4113549 Name:
US9199927, 23
Mol. Formula:
C26H25ClN4O5
M.W.:
508.96
Type:
Small molecule
AlogP:
4.13
Polar Surface Area:
154.60
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4113470 Name:
US9199927, 95
Mol. Formula:
C29H29ClN4O8
M.W.:
597.02
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
201.13
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4109828 Name:
US9199927, 71
Mol. Formula:
C29H25N5O8
M.W.:
571.55
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
214.02
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4106875 Name:
US9199927, 102
Mol. Formula:
C27H23N5O7S
M.W.:
561.58
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
196.00
HBA:
8
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA3985783 Name:
US9199927, 33
Mol. Formula:
C26H25ClN4O5
M.W.:
508.96
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
145.81
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA3985298 Name:
US9199927, 24
Mol. Formula:
C25H22F2N4O5
M.W.:
496.47
Type:
Small molecule
AlogP:
2.84
Polar Surface Area:
154.60
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3985101 Name:
US9199927, 63
Mol. Formula:
C25H23ClN4O7S
M.W.:
559.00
Type:
Small molecule
AlogP:
3.67
Polar Surface Area:
183.11
HBA:
7
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA3980104 Name:
US9199927, 61
Mol. Formula:
C26H24ClN5O7
M.W.:
553.96
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
186.35
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA3979741 Name:
US9199927, 96
Mol. Formula:
C30H31ClN4O8
M.W.:
611.05
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
201.13
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA3977663 Name:
US9199927, 31
Mol. Formula:
C26H22ClF3N4O5
M.W.:
562.93
Type:
Small molecule
AlogP:
4.24
Polar Surface Area:
154.60
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA3977211 Name:
US9199927, 22
Mol. Formula:
C26H21N5O5
M.W.:
483.48
Type:
Small molecule
AlogP:
3.64
Polar Surface Area:
167.49
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA3973384 Name:
US9199927, 119
Mol. Formula:
C26H23N5O5
M.W.:
485.50
Type:
Small molecule
AlogP:
3.12
Polar Surface Area:
170.39
HBA:
5
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA3972244 Name:
US9199927, 28
Mol. Formula:
C27H23N5O5
M.W.:
497.51
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
167.49
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA3971081 Name:
US9199927, 14
Mol. Formula:
C25H22ClFN4O5
M.W.:
512.93
Type:
Small molecule
AlogP:
3.36
Polar Surface Area:
154.60
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
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