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ALA5308290 Name:
BI00885578
Mol. Formula:
C29H37N9O
M.W.:
527.68
Type:
---
AlogP:
3.41
Polar Surface Area:
89.16
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5308218 Name:
BIBG1774BS
Mol. Formula:
C26H26ClN5O2
M.W.:
475.98
Type:
---
AlogP:
4.58
Polar Surface Area:
77.57
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5308205 Name:
T-10485
Mol. Formula:
C25H25BrClFN2O7S
M.W.:
631.90
Type:
---
AlogP:
4.56
Polar Surface Area:
104.73
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5308187 Name:
JSH-150
Mol. Formula:
C24H33ClN6O2S
M.W.:
505.09
Type:
---
AlogP:
4.55
Polar Surface Area:
104.12
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5308165 Name:
BIBF1379BS
Mol. Formula:
C28H27ClN4O2
M.W.:
487.00
Type:
---
AlogP:
4.59
Polar Surface Area:
64.68
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5308064 Name:
PCC0208017
Mol. Formula:
C19H20F3N7
M.W.:
403.41
Type:
---
AlogP:
3.56
Polar Surface Area:
81.76
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5308039 Name:
BI00870684
Mol. Formula:
C27H31BrN6O
M.W.:
535.49
Type:
---
AlogP:
5.60
Polar Surface Area:
90.97
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5307789 Name:
T-10492
Mol. Formula:
C28H30BrClN2O7S
M.W.:
653.98
Type:
---
AlogP:
5.34
Polar Surface Area:
104.73
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5307753 Name:
T-10515
Mol. Formula:
C27H25BrClF3N2O7S
M.W.:
693.92
Type:
---
AlogP:
5.32
Polar Surface Area:
95.94
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5307726 Name:
CDK8/19i
Mol. Formula:
C14H15N5
M.W.:
253.31
Type:
---
AlogP:
2.61
Polar Surface Area:
55.11
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5307671 Name:
BI00857480
Mol. Formula:
C27H27F3N6O4S
M.W.:
588.61
Type:
---
AlogP:
5.64
Polar Surface Area:
93.96
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5307648 Name:
BV6
Mol. Formula:
C70H96N10O8
M.W.:
1205.60
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5307637 Name:
T-10495
Mol. Formula:
C25H26BrClN2O7S
M.W.:
613.91
Type:
---
AlogP:
4.42
Polar Surface Area:
104.73
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5307539 Name:
T-10496
Mol. Formula:
C29H27BrClN3O5
M.W.:
612.91
Type:
---
AlogP:
6.08
Polar Surface Area:
83.48
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5307428 Name:
BIBF0991BS
Mol. Formula:
C27H22N4O3
M.W.:
450.50
Type:
---
AlogP:
4.81
Polar Surface Area:
85.25
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5307259 Name:
CCT241533
Mol. Formula:
C23H29Cl2FN4O4
M.W.:
515.41
Type:
---
AlogP:
2.93
Polar Surface Area:
108.76
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5307191 Name:
T-10467
Mol. Formula:
C25H26BrClN2O7S
M.W.:
613.91
Type:
---
AlogP:
4.42
Polar Surface Area:
104.73
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5307137 Name:
T-10494
Mol. Formula:
C28H30BrClN2O7S
M.W.:
653.98
Type:
---
AlogP:
5.29
Polar Surface Area:
95.94
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5307134 Name:
T-10497
Mol. Formula:
C27H27BrClFN2O7S
M.W.:
657.94
Type:
---
AlogP:
5.04
Polar Surface Area:
95.94
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5307119 Name:
BI00834280
Mol. Formula:
C27H30ClF3N8O
M.W.:
575.04
Type:
---
AlogP:
4.31
Polar Surface Area:
84.11
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
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