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ALA4476211 Name:
5-methoxy-2-phenylisoindoline-1,3-dione
Mol. Formula:
C15H11NO3
M.W.:
253.26
Type:
Unknown
AlogP:
2.50
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.77
DETAILS
CLOSE
ALA4537830 Name:
N-(5-Chloro-2-methoxybenzyl)-N-(4-(N-(prop-2-yn-1-
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Mol. Formula:
C22H25ClN2O4S
M.W.:
448.97
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
75.71
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4536818 Name:
N-(2-(sec-Butoxy)-5-chlorobenzyl)-N-(4-(N-(prop-2-
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Mol. Formula:
C28H31ClN2O4S2
M.W.:
559.15
Type:
Unknown
AlogP:
5.30
Polar Surface Area:
75.71
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4521108 Name:
N-(5-Chloro-2-propoxybenzyl)-3-phenyl-N-(4-(N-(pro
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Mol. Formula:
C30H33ClN2O4S
M.W.:
553.12
Type:
Unknown
AlogP:
5.24
Polar Surface Area:
75.71
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4520880 Name:
N-(5-Chloro-2-propoxybenzyl)-N-(4-(N-(prop-2-yn-1-
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Mol. Formula:
C28H30ClN3O4S
M.W.:
540.09
Type:
Unknown
AlogP:
4.25
Polar Surface Area:
88.60
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
Type:
Unknown
AlogP:
4.92
Polar Surface Area:
75.71
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4570220 Name:
N-(5-Chloro-2-propoxybenzyl)-N-(4-(N-(prop-2-yn-1-
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Mol. Formula:
C24H25ClN4O4S2
M.W.:
533.08
Type:
Unknown
AlogP:
3.78
Polar Surface Area:
101.49
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4568669 Name:
N-(5-Chloro-2-methoxybenzyl)-N-(4-(N-(prop-2-yn-1-
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Mol. Formula:
C25H31ClN2O4S
M.W.:
491.05
Type:
Unknown
AlogP:
4.41
Polar Surface Area:
75.71
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4567140 Name:
N-(5-Chloro-2-propoxybenzyl)-2-phenyl-N-(4-(N-(pro
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Mol. Formula:
C29H31ClN2O4S
M.W.:
539.10
Type:
Unknown
AlogP:
4.85
Polar Surface Area:
75.71
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4759939 Name:
beta-Cyclocostunolide
Cas Number:
2221-82-1
Mol. Formula:
C15H20O2
M.W.:
232.32
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4756259 Name:
NA
Mol. Formula:
C27H35N3O8S
M.W.:
561.66
Type:
Unknown
AlogP:
2.68
Polar Surface Area:
138.41
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
Type:
Unknown
AlogP:
1.99
Polar Surface Area:
104.73
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4781662 Name:
(3R,3aS,9R,9aS,9bS)-3-[[2-[[4-(benzenesulfonyl)-5-
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Mol. Formula:
C26H33N3O8S
M.W.:
547.63
Type:
Unknown
AlogP:
1.88
Polar Surface Area:
146.11
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4796060 Name:
NA
Mol. Formula:
C26H30F3N3O5S
M.W.:
553.60
Type:
Unknown
AlogP:
4.90
Polar Surface Area:
93.29
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4795353 Name:
alpha-Cyclocostunolide
Cas Number:
2221-81-0
Mol. Formula:
C15H20O2
M.W.:
232.32
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4861925 Name:
N-Benzyl-2-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovin
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Mol. Formula:
C27H26N2O6
M.W.:
474.51
Type:
Unknown
AlogP:
4.82
Polar Surface Area:
99.93
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4861777 Name:
(E)-3-(4-methoxy-3,5-dimethylphenyl)-1-(4-(methylt
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Mol. Formula:
C19H20O2S
M.W.:
312.43
Type:
Unknown
AlogP:
4.93
Polar Surface Area:
26.30
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4860713 Name:
N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)b
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Mol. Formula:
C35H45N3O5S
M.W.:
619.83
Type:
Unknown
AlogP:
7.87
Polar Surface Area:
101.74
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4860676 Name:
1,5-Dimethoxy-2-((E)-2-nitrovinyl)-3-((E)-4-((4-(t
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Mol. Formula:
C26H22F3NO5
M.W.:
485.46
Type:
Unknown
AlogP:
6.72
Polar Surface Area:
70.83
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4860415 Name:
(E)-3-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-1-(
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Mol. Formula:
C20H22O3S
M.W.:
342.46
Type:
Unknown
AlogP:
4.29
Polar Surface Area:
46.53
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
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