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ALA4777514 Name:
(Z)-N-(2-(Diethylamino)ethyl)-5-((6-isopropyl-2-ox
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Mol. Formula:
C25H34N4O2
M.W.:
422.57
Type:
Unknown
AlogP:
4.32
Polar Surface Area:
77.23
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4787722 Name:
(Z)-N-(2-(Diethylamino)ethyl)-2,4-dimethyl-5-((6-m
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Mol. Formula:
C23H30N4O2
M.W.:
394.52
Type:
Unknown
AlogP:
3.50
Polar Surface Area:
77.23
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA3969654 Name:
US9428501, 58
Mol. Formula:
C32H36F3N7O2
M.W.:
607.68
Type:
Small molecule
AlogP:
5.04
Polar Surface Area:
79.62
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3941150 Name:
US9428501, 50
Mol. Formula:
C31H34F3N7O2
M.W.:
593.65
Type:
Small molecule
AlogP:
4.49
Polar Surface Area:
79.10
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3895466 Name:
US9428501, 19
Mol. Formula:
C33H37F3N6O2
M.W.:
606.69
Type:
Small molecule
AlogP:
5.33
Polar Surface Area:
66.73
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3892677 Name:
US9428501, 14
Mol. Formula:
C33H36F3N5O2
M.W.:
591.68
Type:
Small molecule
AlogP:
5.93
Polar Surface Area:
64.70
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3430785 Name:
K00564a
Cas Number:
622387-85-3
Mol. Formula:
C18H15N3O3S
M.W.:
353.40
Type:
Small molecule
AlogP:
2.32
Polar Surface Area:
94.19
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3430784 Name:
K00081
Mol. Formula:
C20H15ClF3N3O2
M.W.:
421.81
Type:
Small molecule
AlogP:
5.65
Polar Surface Area:
63.25
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3430781 Name:
K00202
Cas Number:
138516-31-1
Mol. Formula:
C26H26N4O4
M.W.:
458.52
Type:
Small molecule
AlogP:
3.05
Polar Surface Area:
82.05
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2398111 Name:
2-chloro-5-((Z)-((E)-5-((5-(4,5-dimethyl-2-nitroph
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Mol. Formula:
C23H16ClN3O6S
M.W.:
497.92
Type:
Small molecule
AlogP:
5.71
Polar Surface Area:
135.04
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA558969 Name:
K00592a
Cas Number:
2490508-82-0
Mol. Formula:
C14H16ClF3N6O
M.W.:
376.77
Type:
Small molecule
AlogP:
1.71
Polar Surface Area:
118.95
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA408678 Name:
K00567a
Mol. Formula:
C20H13ClFN3O
M.W.:
365.80
Type:
Small molecule
AlogP:
4.69
Polar Surface Area:
50.68
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA411645 Name:
K00192
Mol. Formula:
C16H10IN3O2
M.W.:
403.18
Type:
Small molecule
AlogP:
3.26
Polar Surface Area:
73.72
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA7064 Name:
K00068
Mol. Formula:
C14H8N2O
M.W.:
220.23
Type:
Small molecule
AlogP:
2.77
Polar Surface Area:
45.75
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.49
DETAILS
CLOSE
ALA126254 Name:
K00014
Mol. Formula:
C19H25ClN6O
M.W.:
388.90
Type:
Small molecule
AlogP:
4.01
Polar Surface Area:
79.10
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
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