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ALA4474489 Name:
N-((2S,3R)-3-Hydroxy-1-oxo-1-(dodecylamino)butan-2
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Mol. Formula:
C23H38N2O3
M.W.:
390.57
Type:
Unknown
AlogP:
4.20
Polar Surface Area:
78.43
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4540487 Name:
6-(3-(1,4,7-Triazonan-1-yl)propoxy)-N-(3-chlorophe
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Mol. Formula:
C24H31ClN6O2
M.W.:
471.01
Type:
Unknown
AlogP:
3.30
Polar Surface Area:
83.57
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4522240 Name:
6-(3-(1,4,7,10-Tetraazacyclododecan-1-yl)propoxy)-
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Mol. Formula:
C33H41ClFN7O3
M.W.:
638.19
Type:
Unknown
AlogP:
4.61
Polar Surface Area:
104.83
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4534611 Name:
6-(3-(1,4,7,10-Tetraazacyclododecan-1-yl)propoxy)-
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Mol. Formula:
C26H35ClFN7O2
M.W.:
532.06
Type:
Unknown
AlogP:
3.03
Polar Surface Area:
95.60
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4534431 Name:
Sparticolin E
Mol. Formula:
C19H16O5
M.W.:
324.33
Type:
Unknown
AlogP:
3.13
Polar Surface Area:
64.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4533210 Name:
(2S,3R)-2-Amino-3-hydroxy-N-tetradecylbutanamide
Mol. Formula:
C18H38N2O2
M.W.:
314.51
Type:
Unknown
AlogP:
3.51
Polar Surface Area:
75.35
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4559045 Name:
N-((2S,3R)-3-Hydroxy-1-oxo-1-(tetradecylamino)buta
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Mol. Formula:
C25H42N2O3
M.W.:
418.62
Type:
Unknown
AlogP:
4.98
Polar Surface Area:
78.43
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4558497 Name:
Sparticolin G
Mol. Formula:
C19H12O5
M.W.:
320.30
Type:
Unknown
AlogP:
2.69
Polar Surface Area:
61.83
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4552623 Name:
6-[2-(Diethylamino)ethyl]-8,9-dimethoxypyrido[30,2
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Mol. Formula:
C22H25N3O3S
M.W.:
411.53
Type:
Unknown
AlogP:
4.12
Polar Surface Area:
56.59
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4551931 Name:
Sparticolin D; 4-((2S*,4S*)-2,4-dihydroxyspiro[cyc
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Mol. Formula:
C19H16O6
M.W.:
340.33
Type:
Unknown
AlogP:
2.00
Polar Surface Area:
96.22
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4570313 Name:
11-[2-(Dimethylamino)ethyl]-2,3-dimethoxybenzothio
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Mol. Formula:
C21H22N2O3S
M.W.:
382.49
Type:
Unknown
AlogP:
3.95
Polar Surface Area:
43.70
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4568842 Name:
11-[2-(Diethylamino)ethyl]-7-chloro-2,3-dimethoxyb
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Mol. Formula:
C23H25ClN2O3S
M.W.:
444.98
Type:
Unknown
AlogP:
5.38
Polar Surface Area:
43.70
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4530492 Name:
Sparticolin F
Mol. Formula:
C20H18O5
M.W.:
338.36
Type:
Unknown
AlogP:
3.21
Polar Surface Area:
53.99
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4530144 Name:
(2S,3R)-2-Amino-3-hydroxy-N-octadecylbutanamide
Mol. Formula:
C22H46N2O2
M.W.:
370.62
Type:
Unknown
AlogP:
5.07
Polar Surface Area:
75.35
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4528182 Name:
6-(3-(1,4,7,10-Tetraazacyclododecan-1-yl)propoxy)-
Show More⌵
Mol. Formula:
C26H36IN7O2
M.W.:
605.53
Type:
Unknown
AlogP:
2.84
Polar Surface Area:
95.60
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4526963 Name:
11-[2-(Dimethylamino)ethyl]-7-chloro-2,3-dimethoxy
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Mol. Formula:
C21H21ClN2O3S
M.W.:
416.93
Type:
Unknown
AlogP:
4.60
Polar Surface Area:
43.70
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4526336 Name:
N-((2S,3R)-3-Hydroxy-1-oxo-1-(octadecylamino)butan
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Mol. Formula:
C29H50N2O3
M.W.:
474.73
Type:
Unknown
AlogP:
6.54
Polar Surface Area:
78.43
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4517649 Name:
6-[2-(Diethylamino)ethyl]-pyrido[30,2':5,6]thiopyr
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Mol. Formula:
C20H21N3OS
M.W.:
351.48
Type:
Unknown
AlogP:
4.11
Polar Surface Area:
38.13
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4549221 Name:
6-(3-(1,4,7-Triazonan-1-yl)propoxy)-N-(2,4-dichlor
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Mol. Formula:
C24H30Cl2N6O2
M.W.:
505.45
Type:
Unknown
AlogP:
3.95
Polar Surface Area:
83.57
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4549107 Name:
11-[2-(Diethylamino)ethyl]-3,7-dichlorobenzothiopy
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Mol. Formula:
C21H20Cl2N2OS
M.W.:
419.38
Type:
Unknown
AlogP:
6.02
Polar Surface Area:
25.24
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
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