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ALA5286195 Name:
di-tert-butyl 4,4'-(2,2'-(azanediylbis(ethane-2,1-
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Mol. Formula:
C46H51N9O12
M.W.:
921.96
Type:
---
AlogP:
5.41
Polar Surface Area:
238.63
HBA:
15
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5284203 Name:
2,2'-(azanediylbis(ethane-2,1-diyl))bis(5-nitro-6-
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Mol. Formula:
C38H37N7O8
M.W.:
719.75
Type:
---
AlogP:
5.27
Polar Surface Area:
179.55
HBA:
11
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5280600 Name:
2,2'-(azanediylbis(ethane-2,1-diyl))bis(6-([1,4'-b
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Mol. Formula:
C48H55N9O8
M.W.:
886.02
Type:
---
AlogP:
6.20
Polar Surface Area:
186.03
HBA:
13
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5280001 Name:
2-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-6-morpholino
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Mol. Formula:
C25H21N3O7
M.W.:
475.46
Type:
---
AlogP:
3.15
Polar Surface Area:
111.45
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5288807 Name:
(4'S,6a'R,6b'S,8a'S,13a'S,13b'R)-9'-cyano-1-(2,6-d
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Mol. Formula:
C39H39F2N3O4
M.W.:
651.75
Type:
---
AlogP:
7.66
Polar Surface Area:
103.48
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4791303 Name:
(E)-6-Chloro-2-(3,4-dimethoxystyryl)-4-[2-(morphol
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Mol. Formula:
C24H27ClN4O3
M.W.:
454.96
Type:
Unknown
AlogP:
4.21
Polar Surface Area:
68.74
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4757196 Name:
(E)-2-(3,4-dimethoxystyryl)-4-(1-piperidinylethyl)
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Mol. Formula:
C25H30N4O2
M.W.:
418.54
Type:
Unknown
AlogP:
4.72
Polar Surface Area:
59.51
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4756911 Name:
(E)-6-Chloro-2-(4-nitrostyryl)-4-(2-dimethylaminoe
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Mol. Formula:
C20H20ClN5O2
M.W.:
397.87
Type:
Unknown
AlogP:
4.34
Polar Surface Area:
84.19
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4756696 Name:
(E)-2-(3,4-Methylenedioxystyryl)-4[2-(morpholinyl)
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Mol. Formula:
C23H24N4O3
M.W.:
404.47
Type:
Unknown
AlogP:
3.27
Polar Surface Area:
68.74
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4776273 Name:
(E)-2-(4-Nitrostyryl)-4-(1-piperidinylethyl)aminoq
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Mol. Formula:
C23H25N5O2
M.W.:
403.49
Type:
Unknown
AlogP:
4.61
Polar Surface Area:
84.19
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4764913 Name:
(E)-6-Chloro-2-(4-nitrostyryl)-4-(1-piperidinyleth
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Mol. Formula:
C23H24ClN5O2
M.W.:
437.93
Type:
Unknown
AlogP:
5.26
Polar Surface Area:
84.19
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5277147 Name:
(4'S,6a'R,6b'S,8a'S,13a'S,13b'R)-9'-cyano-10'-imin
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Mol. Formula:
C40H43N3O4
M.W.:
629.80
Type:
---
AlogP:
7.69
Polar Surface Area:
103.48
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5276557 Name:
2,2'-(azanediylbis(ethane-2,1-diyl))bis(5-nitro-1H
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Mol. Formula:
C28H19N5O8
M.W.:
553.49
Type:
---
AlogP:
3.29
Polar Surface Area:
173.07
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5275285 Name:
2,2'-(azanediylbis(ethane-2,1-diyl))bis(6-morpholi
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Mol. Formula:
C36H33N7O10
M.W.:
723.70
Type:
---
AlogP:
2.96
Polar Surface Area:
198.01
HBA:
13
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5274199 Name:
2,2'-(azanediylbis(ethane-2,1-diyl))bis(6-(4-methy
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Mol. Formula:
C38H39N9O8
M.W.:
749.78
Type:
---
AlogP:
2.79
Polar Surface Area:
186.03
HBA:
13
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5271947 Name:
2-(2-(dimethylamino)ethyl)-6-morpholino-5-nitro-1H
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Mol. Formula:
C20H22N4O5
M.W.:
398.42
Type:
---
AlogP:
1.74
Polar Surface Area:
96.23
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5269853 Name:
2-(2-hydroxyethyl)-6-morpholino-5-nitro-1H-benzo[d
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Mol. Formula:
C18H17N3O6
M.W.:
371.35
Type:
---
AlogP:
1.17
Polar Surface Area:
113.22
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5207285 Name:
(E)-2-(3,3,3-Trifluoro-1-(phenylsulfonyl)prop-1-en
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Mol. Formula:
C14H10F3NO2S
M.W.:
313.30
Type:
---
AlogP:
3.46
Polar Surface Area:
47.03
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA5205285 Name:
3-Nitro-7H-dibenzo[de,g]quinolin-7-one
Mol. Formula:
C16H8N2O3
M.W.:
276.25
Type:
---
AlogP:
3.35
Polar Surface Area:
73.10
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5201698 Name:
(E)-1-(4-(3,3,3-Trifluoro-1-((4-fluorophenyl)sulfo
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Mol. Formula:
C17H12F4O3S
M.W.:
372.34
Type:
---
AlogP:
4.41
Polar Surface Area:
51.21
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
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