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ALA5286722 Name:
methyl2-[2-chloro-4-[(Z)-(3-methyl-5-oxo-1-phenyl-
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Mol. Formula:
C21H19ClN2O6
M.W.:
430.84
Type:
---
AlogP:
3.64
Polar Surface Area:
86.66
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5286157 Name:
(2S,5S,8S,11S,14S,17S,20S,24E,32R)-32-[[(2S)-2-[[(
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Mol. Formula:
C90H133N19O20
M.W.:
1801.17
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5280949 Name:
4-[(4S,5R)-2-[4-(3-amino-3-oxo-propanoyl)-2-tert-b
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Mol. Formula:
C36H36N6O7
M.W.:
664.72
Type:
---
AlogP:
4.20
Polar Surface Area:
187.49
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5280843 Name:
3-[[6-chloro-3-[3-[(1S)-1-(3-chlorophenyl)ethyl]-5
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Mol. Formula:
C42H38Cl2N6O5
M.W.:
777.71
Type:
---
AlogP:
9.38
Polar Surface Area:
132.79
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5290391 Name:
6-chloro-3-[3-[(1S)-1-(3-chlorophenyl)ethyl]-5-phe
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Mol. Formula:
C38H42Cl2N6O
M.W.:
669.70
Type:
---
AlogP:
8.29
Polar Surface Area:
69.19
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5290323 Name:
3-[(2S,5S,8S,11S,14S,17S,20S,24E,32R)-32-[[(2S)-2-
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Mol. Formula:
C87H125N17O21
M.W.:
1745.06
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3691740 Name:
US8969341, 144
Mol. Formula:
C32H34Cl2N4O3
M.W.:
593.55
Type:
Small molecule
AlogP:
7.31
Polar Surface Area:
59.83
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3691737 Name:
US8969341, 141
Mol. Formula:
C29H27Cl2N3O2
M.W.:
520.46
Type:
Small molecule
AlogP:
7.68
Polar Surface Area:
47.36
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3691735 Name:
US8969341, 139
Mol. Formula:
C23H22Cl2FN3O2
M.W.:
462.35
Type:
Small molecule
AlogP:
5.50
Polar Surface Area:
58.36
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3691715 Name:
US8969341, 119
Mol. Formula:
C28H26Cl2N4O3
M.W.:
537.45
Type:
Small molecule
AlogP:
6.77
Polar Surface Area:
69.48
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA3691714 Name:
US8969341, 118
Mol. Formula:
C27H24Cl2N4O2
M.W.:
507.42
Type:
Small molecule
AlogP:
6.76
Polar Surface Area:
60.25
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3691709 Name:
US8969341, 113
Mol. Formula:
C29H28Cl2N4O3
M.W.:
551.47
Type:
Small molecule
AlogP:
6.55
Polar Surface Area:
69.36
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3691707 Name:
US8969341, 111
Mol. Formula:
C28H26Cl2N4O4
M.W.:
553.45
Type:
Small molecule
AlogP:
5.21
Polar Surface Area:
89.59
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA3691702 Name:
US8969341, 106
Mol. Formula:
C32H32Cl2N4O3
M.W.:
591.54
Type:
Small molecule
AlogP:
7.38
Polar Surface Area:
67.67
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA3691701 Name:
US8969341, 105
Mol. Formula:
C30H28Cl2N4O3
M.W.:
563.49
Type:
Small molecule
AlogP:
7.33
Polar Surface Area:
76.46
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3691694 Name:
US8969341, 98
Mol. Formula:
C27H24Cl2N4O2
M.W.:
507.42
Type:
Small molecule
AlogP:
6.76
Polar Surface Area:
60.25
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3691693 Name:
US8969341, 97
Mol. Formula:
C26H21Cl2FN4O2
M.W.:
511.38
Type:
Small molecule
AlogP:
6.60
Polar Surface Area:
60.25
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3687315 Name:
US8969341, 92
Mol. Formula:
C32H34Cl2N4O3
M.W.:
593.55
Type:
Small molecule
AlogP:
7.31
Polar Surface Area:
59.83
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3687308 Name:
US8969341, 85
Mol. Formula:
C23H20Cl2FN3O2
M.W.:
460.34
Type:
Small molecule
AlogP:
5.26
Polar Surface Area:
58.36
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3687307 Name:
US8969341, 84
Mol. Formula:
C29H27Cl2N3O2
M.W.:
520.46
Type:
Small molecule
AlogP:
7.68
Polar Surface Area:
47.36
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
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