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ALA4547476 Name:
(Z)-3-(furan-2-ylmethyl)-2-thioxo-5-((5-(3-(triflu
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Cas Number:
608147-05-3
Mol. Formula:
C20H12F3NO3S2
M.W.:
435.45
Type:
Unknown
AlogP:
5.96
Polar Surface Area:
46.59
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4550132 Name:
5-(5-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(6H)
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Mol. Formula:
C19H13N3O5S
M.W.:
395.40
Type:
Unknown
AlogP:
1.48
Polar Surface Area:
108.72
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4549399 Name:
5-((5-(2-bromo-4-methylphenyl)furan-2-yl)methylene
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Mol. Formula:
C16H11BrN2O4
M.W.:
375.18
Type:
Unknown
AlogP:
2.77
Polar Surface Area:
88.41
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4525600 Name:
(E)-2-((2-bromo-4-((4-oxo-2-thioxothiazolidin-5-yl
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Mol. Formula:
C18H11BrN2O2S2
M.W.:
431.34
Type:
Unknown
AlogP:
4.39
Polar Surface Area:
62.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4560898 Name:
(E)-5-(5-bromo-2-hydroxy-3-iodobenzylidene)-1-(3,4
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Mol. Formula:
C19H14BrIN2O3S
M.W.:
557.21
Type:
Unknown
AlogP:
4.21
Polar Surface Area:
69.64
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4559949 Name:
N-(2-(6-(2,5-dimethoxyphenyl)imidazo[2,1-b]thiazol
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Mol. Formula:
C30H27N3O5S2
M.W.:
573.70
Type:
Unknown
AlogP:
6.26
Polar Surface Area:
86.28
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4557880 Name:
azepan-1-yl(4-(4-bromophenyl)-3a,4,5,9b-tetrahydro
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Mol. Formula:
C25H27BrN2O
M.W.:
451.41
Type:
Unknown
AlogP:
6.29
Polar Surface Area:
32.34
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4556653 Name:
2-(2-oxo-2-(4-phenylpiperazin-1-yl)ethylthio)-3-ph
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Mol. Formula:
C28H25N5O2S
M.W.:
495.61
Type:
Unknown
AlogP:
4.31
Polar Surface Area:
74.23
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4553529 Name:
5-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-2-thio
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Mol. Formula:
C20H14N4O2S
M.W.:
374.43
Type:
Unknown
AlogP:
2.45
Polar Surface Area:
76.02
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4551947 Name:
N-allyl-N-(2-(5-methylisoxazol-3-ylamino)-2-oxoeth
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Mol. Formula:
C14H21N3O3
M.W.:
279.34
Type:
Unknown
AlogP:
2.13
Polar Surface Area:
75.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4540810 Name:
(Z)-5-((5-(4-chloro-3-nitrophenyl)furan-2-yl)methy
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Mol. Formula:
C20H12ClN3O7
M.W.:
441.78
Type:
Unknown
AlogP:
3.76
Polar Surface Area:
135.90
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4540111 Name:
N-(1',2-dihydroxy-1,2'-binaphthyl-4'-yl)-4-fluorob
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Mol. Formula:
C26H18FNO4S
M.W.:
459.50
Type:
Unknown
AlogP:
6.01
Polar Surface Area:
86.63
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4537793 Name:
3-[(5-anilino-1,3,4-thiadiazol-2-yl)methylsulfanyl
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Cas Number:
575468-55-2
Mol. Formula:
C18H16N6S3
M.W.:
412.57
Type:
Unknown
AlogP:
4.65
Polar Surface Area:
89.61
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4537027 Name:
N-(furan-2-ylmethyl)-N-(2-(6-(naphthalen-2-yl)imid
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Mol. Formula:
C29H22F3N3O3S2
M.W.:
581.64
Type:
Unknown
AlogP:
7.26
Polar Surface Area:
67.82
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4535110 Name:
(E)-1-(4-chlorophenyl)-5-((5-iodofuran-2-yl)methyl
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Mol. Formula:
C15H8ClIN2O3S
M.W.:
458.66
Type:
Unknown
AlogP:
3.37
Polar Surface Area:
62.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4533014 Name:
N-(3,5-dichloro-4-hydroxyphenylcarbamothioyl)benzo
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Mol. Formula:
C16H10Cl2N2O3S
M.W.:
381.24
Type:
Unknown
AlogP:
4.57
Polar Surface Area:
74.50
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4532782 Name:
(E)-5-((1-(4-bromophenyl)-1H-pyrrol-2-yl)methylene
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Mol. Formula:
C22H16BrN3O3S
M.W.:
482.36
Type:
Unknown
AlogP:
4.08
Polar Surface Area:
63.57
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4531807 Name:
(E)-1-ethyl-5-((1-methyl-1H-pyrrol-2-yl)methylene)
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Mol. Formula:
C12H13N3O2S
M.W.:
263.32
Type:
Unknown
AlogP:
0.67
Polar Surface Area:
54.34
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4530378 Name:
2,6-di-tert-butyl-4-((4-methoxyphenyl)(morpholino)
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Cas Number:
5813-21-8
Mol. Formula:
C26H37NO3
M.W.:
411.59
Type:
Unknown
AlogP:
5.42
Polar Surface Area:
41.93
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4530054 Name:
2-((1R,2S,4aR)-1,2,4a,5,5-pentamethyldecahydronaph
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Mol. Formula:
C21H32O2
M.W.:
316.49
Type:
Unknown
AlogP:
5.62
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
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