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ALA4869813 Name:
(S)-((S)-3-bromo-4,5-dihydroisoxazol-5-yl)(3-pheny
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Mol. Formula:
C12H11BrN4O2
M.W.:
323.15
Type:
Unknown
AlogP:
2.23
Polar Surface Area:
86.53
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA4869210 Name:
1'-(3-ethoxy-4-hydroxybenzylideneamino)-5'-oxo-1',
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Mol. Formula:
C26H20N4O3
M.W.:
436.47
Type:
Unknown
AlogP:
4.42
Polar Surface Area:
97.95
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5285910 Name:
2-(3-Methoxy-5-nitro-1H-indazol-1-yl)ethan-1-amine
Mol. Formula:
C10H12N4O3
M.W.:
236.23
Type:
---
AlogP:
0.91
Polar Surface Area:
96.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4866720 Name:
1'-(4-chlorobenzylideneamino)-5'-oxo-1',5'-dihydro
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Mol. Formula:
C24H15ClN4O
M.W.:
410.86
Type:
Unknown
AlogP:
4.97
Polar Surface Area:
68.49
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4866158 Name:
1'-(4-(dimethylamino)benzylideneamino)-5'-oxo-1',5
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Mol. Formula:
C26H21N5O
M.W.:
419.49
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
71.73
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4864938 Name:
1'-(2,4-dichlorobenzylideneamino)-5'-oxo-1',5'-dih
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Mol. Formula:
C24H14Cl2N4O
M.W.:
445.31
Type:
Unknown
AlogP:
5.62
Polar Surface Area:
68.49
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4864557 Name:
Edelfosine
Mol. Formula:
C28H60NO6P
M.W.:
537.76
Type:
Unknown
AlogP:
6.88
Polar Surface Area:
77.05
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
28
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4859736 Name:
1'-(2,6-dichlorobenzylideneamino)-5'-oxo-1',5'-dih
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Mol. Formula:
C24H14Cl2N4O
M.W.:
445.31
Type:
Unknown
AlogP:
5.62
Polar Surface Area:
68.49
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4859138 Name:
1'-(4-nitrobenzylideneamino)-5'-oxo-1',5'-dihydro-
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Mol. Formula:
C24H15N5O3
M.W.:
421.42
Type:
Unknown
AlogP:
4.22
Polar Surface Area:
111.63
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4858135 Name:
1'-(benzylideneamino)-5'-oxo-1',5'-dihydro-10H-spi
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Mol. Formula:
C24H16N4O
M.W.:
376.42
Type:
Unknown
AlogP:
4.31
Polar Surface Area:
68.49
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4857885 Name:
1'-(4-fluorobenzylideneamino)-5'-oxo-1',5'-dihydro
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Mol. Formula:
C24H15FN4O
M.W.:
394.41
Type:
Unknown
AlogP:
4.45
Polar Surface Area:
68.49
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4790606 Name:
Buchtienine
Mol. Formula:
C31H34N4O2
M.W.:
494.64
Type:
Unknown
AlogP:
5.19
Polar Surface Area:
73.15
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4790084 Name:
N-(3-(Trifluoromethyl)phenyl)-2-(3,4-dihydro-1-phe
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Mol. Formula:
C26H22F3N3O
M.W.:
449.48
Type:
Unknown
AlogP:
5.77
Polar Surface Area:
48.13
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4862013 Name:
1'-(2-nitrobenzylideneamino)-5'-oxo-1',5'-dihydro-
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Mol. Formula:
C24H15N5O3
M.W.:
421.42
Type:
Unknown
AlogP:
4.22
Polar Surface Area:
111.63
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4868264 Name:
5-(3-bromo-4,5-dihydroisoxazol-5-yl)-3-(4-fluoroph
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Mol. Formula:
C11H7BrFN3O2
M.W.:
312.10
Type:
Unknown
AlogP:
3.05
Polar Surface Area:
60.51
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4776364 Name:
2-(3,4-Dihydro-1-phenyl-1H-pyrido[3,4-b]indol-2(9H
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Mol. Formula:
C29H25N3O
M.W.:
431.54
Type:
Unknown
AlogP:
5.91
Polar Surface Area:
48.13
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4556142 Name:
Diphenyl(2-(naphthalen-2-yl)-4-phenyl quinolin-8-y
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Mol. Formula:
C37H26NOP
M.W.:
531.60
Type:
Unknown
AlogP:
8.36
Polar Surface Area:
29.96
HBA:
2
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4555847 Name:
6-chloro-8-(4-chlorophenylthio)-2-(phenylsulfonylm
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Mol. Formula:
C20H15Cl2N3O2S2
M.W.:
464.40
Type:
Unknown
AlogP:
5.35
Polar Surface Area:
77.46
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5273909 Name:
4-amino-2-((4-amino-5-mercapto-4H-1,2,4-triazol-3-
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Mol. Formula:
C10H12N8OS2
M.W.:
324.40
Type:
---
AlogP:
-0.95
Polar Surface Area:
122.57
HBA:
11
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5272987 Name:
6,7-dimethoxy-4-(selenocyanatomethyl)-2H-chromen-2
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Mol. Formula:
C13H11NO4Se
M.W.:
324.19
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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