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ALA4520243 Name:
diisopropyl (6-ethyl-2-methyl-4-oxothieno[2,3-d]py
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Mol. Formula:
C22H29N4O6PS
M.W.:
508.54
Type:
Unknown
AlogP:
5.52
Polar Surface Area:
125.59
HBA:
10
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4535457 Name:
5,15-Di((3-carboxypropoxyl)phenyl)chlorin
Mol. Formula:
C40H36N4O6
M.W.:
668.75
Type:
Unknown
AlogP:
8.09
Polar Surface Area:
150.42
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4569987 Name:
5,15-Di((3-carboxymethoxyl)phenyl)chlorin
Mol. Formula:
C36H28N4O6
M.W.:
612.64
Type:
Unknown
AlogP:
6.53
Polar Surface Area:
150.42
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4526204 Name:
(E)-3-(4-(3-(4-methoxyphenyl)acryloyl)phenoxy)prop
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Mol. Formula:
C25H30N2O3S2
M.W.:
470.66
Type:
Unknown
AlogP:
4.63
Polar Surface Area:
42.01
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4516354 Name:
5,15-Di((3-carboxypropoxyl-4-methoxyl)phenyl)bacte
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Mol. Formula:
C42H42N4O8
M.W.:
730.82
Type:
Unknown
AlogP:
7.72
Polar Surface Area:
168.88
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4514770 Name:
5,15-Di((3-carboxypropoxyl)phenyl)bacteriochlorin
Mol. Formula:
C40H38N4O6
M.W.:
670.77
Type:
Unknown
AlogP:
7.71
Polar Surface Area:
150.42
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4548859 Name:
5,15-Di((3-carboxypropoxyl-4-methoxyl)phenyl)chlor
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Mol. Formula:
C42H40N4O8
M.W.:
728.80
Type:
Unknown
AlogP:
8.11
Polar Surface Area:
168.88
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4744562 Name:
(4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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Mol. Formula:
C31H40O9
M.W.:
556.65
Type:
Unknown
AlogP:
3.49
Polar Surface Area:
128.59
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4742820 Name:
1-(Naphthalen-1-yl)-3-(2-(7-oxo-5-(propylthio)-6,7
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Mol. Formula:
C20H21N7OS2
M.W.:
439.57
Type:
Unknown
AlogP:
3.16
Polar Surface Area:
100.52
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4776117 Name:
(4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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Mol. Formula:
C31H40O7
M.W.:
524.65
Type:
Unknown
AlogP:
3.79
Polar Surface Area:
110.13
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4763280 Name:
(4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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Mol. Formula:
C29H35ClO7
M.W.:
531.05
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
110.13
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4759269 Name:
(4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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Mol. Formula:
C30H37BrO7
M.W.:
589.52
Type:
Unknown
AlogP:
4.37
Polar Surface Area:
110.13
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4759146 Name:
(4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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Mol. Formula:
C29H35ClO7
M.W.:
531.05
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
110.13
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4755705 Name:
1-(2-Chlorophenyl)-3-(2-(7-oxo-5-(propylthio)-6,7-
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Mol. Formula:
C16H18ClN7OS2
M.W.:
423.95
Type:
Unknown
AlogP:
2.66
Polar Surface Area:
100.52
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4780853 Name:
(4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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Mol. Formula:
C26H37BrO7
M.W.:
541.48
Type:
Unknown
AlogP:
3.34
Polar Surface Area:
110.13
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4779634 Name:
(4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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Mol. Formula:
C30H37ClO8
M.W.:
561.07
Type:
Unknown
AlogP:
4.14
Polar Surface Area:
119.36
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4777178 Name:
(4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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Mol. Formula:
C29H35BrO7
M.W.:
575.50
Type:
Unknown
AlogP:
4.24
Polar Surface Area:
110.13
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4588761 Name:
5,15-Di((3-carboxypropoxyl)phenyl)porphin
Mol. Formula:
C40H34N4O6
M.W.:
666.73
Type:
Unknown
AlogP:
8.48
Polar Surface Area:
150.42
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4587603 Name:
diethyl (6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimi
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Mol. Formula:
C20H26N3O4PS
M.W.:
435.49
Type:
Unknown
AlogP:
4.84
Polar Surface Area:
82.45
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4585563 Name:
(E)-2-(4-(3-(3,4,5-trimethoxyphenyl)acryloyl)pheno
Show More⌵
Mol. Formula:
C25H29NO5S2
M.W.:
487.64
Type:
Unknown
AlogP:
5.10
Polar Surface Area:
57.23
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
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