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ALA4476178 Name:
2-(3-chlorobenzyl)-6-(2-((1-methyl-1H-pyrazol-4-yl
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Mol. Formula:
C23H19ClN6O
M.W.:
430.90
Type:
Unknown
AlogP:
4.43
Polar Surface Area:
75.94
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4475054 Name:
2-methoxy-5-(6,7,8-trimethoxy-4,5-dihydro-2H-benzo
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Mol. Formula:
C21H23N3O4
M.W.:
381.43
Type:
Unknown
AlogP:
3.46
Polar Surface Area:
91.62
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4552892 Name:
6,7,8-Trimethoxy-1-(4-methoxy-3-nitrophenyl)-4,5-d
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Mol. Formula:
C21H21N3O6
M.W.:
411.41
Type:
Unknown
AlogP:
3.78
Polar Surface Area:
108.74
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4571746 Name:
1-(1-methyl-9-(3,4,5-trimethoxybenzyl)-9H-pyrido[3
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Mol. Formula:
C24H24N2O4
M.W.:
404.47
Type:
Unknown
AlogP:
4.77
Polar Surface Area:
62.58
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4778367 Name:
1-(8-isopropyl-5-methyl-2-((4-(piperazin-1-yl)phen
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Mol. Formula:
C25H29N7O
M.W.:
443.56
Type:
Unknown
AlogP:
4.07
Polar Surface Area:
87.45
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4776781 Name:
1-(8-(tert-butyl)-5-methyl-2((4-(piperazin-1-yl)ph
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Mol. Formula:
C26H31N7O
M.W.:
457.58
Type:
Unknown
AlogP:
4.24
Polar Surface Area:
87.45
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4588783 Name:
2-(3-chlorobenzyl)-6-(2-((tetrahydro-2H-pyran-4-yl
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Mol. Formula:
C24H23ClN4O2
M.W.:
434.93
Type:
Unknown
AlogP:
4.54
Polar Surface Area:
67.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5280311 Name:
di-tert-butyl 3,3'-(1-(2,3,4,9-tetrahydro-1H-pyrid
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Mol. Formula:
C40H42N4O4
M.W.:
642.80
Type:
---
AlogP:
9.16
Polar Surface Area:
90.28
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5285886 Name:
(3R,3aR,11bR)-1-methyl-3,5-diphenyl-1,3,3a,4,5,11b
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Mol. Formula:
C26H22N2O3
M.W.:
410.47
Type:
---
AlogP:
5.22
Polar Surface Area:
45.92
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5285489 Name:
sodium;(6aS,6bS,8aS,11R,12aR,14aR)-2,3-diacetoxy-1
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Mol. Formula:
C33H43NaO9S
M.W.:
638.76
Type:
---
AlogP:
6.47
Polar Surface Area:
144.27
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5288524 Name:
((3R,4S)-1-ethyl-4-hydroxy-4-(4-(p-tolyloxy)phenyl
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Mol. Formula:
C34H36ClNO4
M.W.:
558.12
Type:
---
AlogP:
7.30
Polar Surface Area:
59.00
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4463822 Name:
1-(3-Fluoro-4-methoxyphenyl)-6,7,8-trimethoxy-4,5-
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Mol. Formula:
C21H21FN2O4
M.W.:
384.41
Type:
Unknown
AlogP:
4.02
Polar Surface Area:
65.60
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4459718 Name:
(S)-2-amino-3-hydroxy-N-(2-methoxy-5-(6,7,8-trimet
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Mol. Formula:
C24H29ClN4O6
M.W.:
504.97
Type:
Unknown
AlogP:
2.13
Polar Surface Area:
140.95
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4089159 Name:
Ethyl 5-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)
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Mol. Formula:
C20H14ClN3O4
M.W.:
395.80
Type:
Small molecule
AlogP:
3.65
Polar Surface Area:
93.31
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4473490 Name:
1-(3-Fluoro-4-methoxyphenyl)-6,7,8-trimethoxy-2-ph
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Mol. Formula:
C27H25FN2O4
M.W.:
460.51
Type:
Unknown
AlogP:
5.48
Polar Surface Area:
54.74
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4746501 Name:
N-(3,4-difluorophenyl)-5-(3-morpholinopropoxy)quin
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Mol. Formula:
C22H23F2N3O2
M.W.:
399.44
Type:
Unknown
AlogP:
4.36
Polar Surface Area:
46.62
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5275327 Name:
3-(naphthalen-2-yl)-2-(3,4,5-trimethoxyphenyl)acry
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Mol. Formula:
C22H19NO3
M.W.:
345.40
Type:
---
AlogP:
4.93
Polar Surface Area:
51.48
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5205666 Name:
Pholiol B
Mol. Formula:
C39H60O10
M.W.:
688.90
Type:
---
AlogP:
5.83
Polar Surface Area:
153.50
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5194490 Name:
(3S,6E,10E,14E,18E,22S)-2,3,22,23-Tetrahydroxy-2,6
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Mol. Formula:
C30H54O4
M.W.:
478.76
Type:
---
AlogP:
6.94
Polar Surface Area:
80.92
HBA:
4
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5193607 Name:
Pholiol D
Mol. Formula:
C39H62O10
M.W.:
690.92
Type:
---
AlogP:
5.62
Polar Surface Area:
156.66
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
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