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ALA2230141 Name:
Sarcolobine
Mol. Formula:
C23H22O7
M.W.:
410.42
Type:
Small molecule
AlogP:
2.81
Polar Surface Area:
83.45
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA2230140 Name:
Obovatin 5-methyl ether
Mol. Formula:
C21H20O4
M.W.:
336.39
Type:
Small molecule
AlogP:
4.59
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA2230066 Name:
(E/Z)-3-O-beta-D-glucopyranosyl-28-O-(alpha-L-arabinopyranosyl-(1->3)-beta-Show More⌵
Mol. Formula:
C73H108O33
M.W.:
1513.63
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2228732 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3-mShow More⌵
Mol. Formula:
C20H20N4O3
M.W.:
364.41
Type:
Small molecule
AlogP:
2.50
Polar Surface Area:
85.58
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA2228731 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(4-hShow More⌵
Mol. Formula:
C19H18N4O3
M.W.:
350.38
Type:
Small molecule
AlogP:
2.19
Polar Surface Area:
96.58
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA2228730 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(4-nShow More⌵
Mol. Formula:
C19H17N5O4
M.W.:
379.38
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
119.49
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA2228729 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3-nShow More⌵
Mol. Formula:
C19H17N5O4
M.W.:
379.38
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
119.49
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA2228727 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3-bShow More⌵
Mol. Formula:
C19H17BrN4O2
M.W.:
413.27
Type:
Small molecule
AlogP:
3.25
Polar Surface Area:
76.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA2228726 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(4-cShow More⌵
Mol. Formula:
C19H17ClN4O2
M.W.:
368.82
Type:
Small molecule
AlogP:
3.14
Polar Surface Area:
76.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA2228725 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3-cShow More⌵
Mol. Formula:
C19H17ClN4O2
M.W.:
368.82
Type:
Small molecule
AlogP:
3.14
Polar Surface Area:
76.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA2228723 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(4-fShow More⌵
Mol. Formula:
C19H17FN4O2
M.W.:
352.37
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
76.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA2228721 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid pyrShow More⌵
Mol. Formula:
C18H17N5O2
M.W.:
335.37
Type:
Small molecule
AlogP:
1.88
Polar Surface Area:
89.24
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA2228720 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3,4Show More⌵
Mol. Formula:
C22H24N4O5
M.W.:
424.46
Type:
Small molecule
AlogP:
2.51
Polar Surface Area:
104.04
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA2228719 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3-eShow More⌵
Mol. Formula:
C21H22N4O4
M.W.:
394.43
Type:
Small molecule
AlogP:
2.59
Polar Surface Area:
105.81
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA2228620 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3-mShow More⌵
Mol. Formula:
C20H20N4O4
M.W.:
380.40
Type:
Small molecule
AlogP:
2.20
Polar Surface Area:
105.81
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA2228619 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3,4Show More⌵
Mol. Formula:
C21H22N4O4
M.W.:
394.43
Type:
Small molecule
AlogP:
2.51
Polar Surface Area:
94.81
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2228618 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(2,4Show More⌵
Mol. Formula:
C21H22N4O4
M.W.:
394.43
Type:
Small molecule
AlogP:
2.51
Polar Surface Area:
94.81
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2228617 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(2,4Show More⌵
Mol. Formula:
C19H18N4O4
M.W.:
366.38
Type:
Small molecule
AlogP:
1.90
Polar Surface Area:
116.81
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2228616 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(2,6Show More⌵
Mol. Formula:
C19H16Cl2N4O2
M.W.:
403.27
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
76.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA2228615 Name:
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(2,4Show More⌵
Mol. Formula:
C19H16Cl2N4O2
M.W.:
403.27
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
76.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
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