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ALA1098671 Name:
N-((S)-1-((2S,3S)-3-hydroxy-5-oxo-5-((S)-1-oxo-3-p
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Mol. Formula:
C34H39N5O5
M.W.:
597.72
Type:
Small molecule
AlogP:
1.79
Polar Surface Area:
149.52
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA1098670 Name:
N-((S)-1-((2S,3S)-5-((S)-1-((S)-1-amino-4-methyl-1
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Mol. Formula:
C33H44N6O6
M.W.:
620.75
Type:
Small molecule
AlogP:
0.84
Polar Surface Area:
192.61
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA1098669 Name:
N-((S)-1-((2S,3S)-5-((S)-1-((S)-1-amino-4-methyl-1
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Mol. Formula:
C32H43N7O6
M.W.:
621.74
Type:
Small molecule
AlogP:
0.73
Polar Surface Area:
216.40
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA1098668 Name:
N-((S)-1-((2S,3S)-5-((R)-1-((S)-1-amino-4-methyl-1
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Mol. Formula:
C31H43ClN6O6
M.W.:
631.17
Type:
Small molecule
AlogP:
1.05
Polar Surface Area:
192.61
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4549336 Name:
4,5-dichloro-2-(4-chloro-2-(3-(3,4-dichlorophenyl)
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Mol. Formula:
C19H11Cl5N2O5S
M.W.:
556.64
Type:
Unknown
AlogP:
7.64
Polar Surface Area:
104.73
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4556003 Name:
5-((cyclopentylamino)methyl)-N-(naphthalen-2-ylmet
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Mol. Formula:
C34H45N3O2S
M.W.:
559.82
Type:
Unknown
AlogP:
5.77
Polar Surface Area:
70.23
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5194332 Name:
4-(2-amino-4-oxo-7-(4-pentylphenyl)-3-((5-phenylte
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Mol. Formula:
C37H37N3O4
M.W.:
587.72
Type:
---
AlogP:
7.66
Polar Surface Area:
107.44
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5180448 Name:
2-amino-7-(4-(3-phenylpropyl)phenyl)-3-((5-phenylt
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Mol. Formula:
C34H33N3O2
M.W.:
515.66
Type:
---
AlogP:
6.74
Polar Surface Area:
70.14
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4558605 Name:
2-(diisohexylamino)-1-(1,2,3,4-tetrahydrophenanthr
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Mol. Formula:
C28H43NO
M.W.:
409.66
Type:
Unknown
AlogP:
6.93
Polar Surface Area:
23.47
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4558109 Name:
3-acetyl-7-(4-(2-(4-tert-butyl-2-methylphenoxy)eth
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Mol. Formula:
C38H47N3O3
M.W.:
593.81
Type:
Unknown
AlogP:
5.96
Polar Surface Area:
61.88
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4554580 Name:
N-(2-naphthylmethyl)-3-(4-undecylphenyl)sulfonyl-7
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Mol. Formula:
C34H46N2O2S
M.W.:
546.82
Type:
Unknown
AlogP:
7.35
Polar Surface Area:
58.20
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4554448 Name:
(6-(3-(4-aminophenyl)-3-oxopropyl)-2,5,6,7-tetrahy
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Mol. Formula:
C27H28N2O3
M.W.:
428.53
Type:
Unknown
AlogP:
4.78
Polar Surface Area:
81.42
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4553173 Name:
3-(4-decylphenyl)sulfonyl-N-(2-naphthylmethyl)-7-a
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Mol. Formula:
C33H44N2O2S
M.W.:
532.79
Type:
Unknown
AlogP:
6.96
Polar Surface Area:
58.20
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4552145 Name:
N-(2-naphthylmethyl)-3-(4-nonylphenyl)sulfonyl-7-a
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Mol. Formula:
C32H42N2O2S
M.W.:
518.77
Type:
Unknown
AlogP:
6.57
Polar Surface Area:
58.20
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4537622 Name:
N-((5-(3,4-dichlorophenyl)furan-2-yl)methyl)-N-(1-
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Mol. Formula:
C33H42Cl2N2O2
M.W.:
569.62
Type:
Unknown
AlogP:
9.14
Polar Surface Area:
36.69
HBA:
3
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4536043 Name:
3-acetyl-7-(4-(2-(2-isopropylphenoxy)ethyl)phenyl)
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Mol. Formula:
C36H43N3O3
M.W.:
565.76
Type:
Unknown
AlogP:
5.48
Polar Surface Area:
61.88
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4532413 Name:
6-Methoxy-7-(2-naphthalen-1-yl-ethoxy)-1,2,3,4-tet
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Mol. Formula:
C23H23NO2
M.W.:
345.44
Type:
Unknown
AlogP:
4.95
Polar Surface Area:
30.49
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4531967 Name:
N-(1-(4-hydroxybenzyl)piperidin-4-yl)-4-pentyl-N-(
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Mol. Formula:
C36H41N3O2
M.W.:
547.74
Type:
Unknown
AlogP:
7.49
Polar Surface Area:
56.67
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4530972 Name:
N-((5-(2,5-dichlorophenyl)furan-2-yl)methyl)-N-(1-
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Mol. Formula:
C33H42Cl2N2O2
M.W.:
569.62
Type:
Unknown
AlogP:
9.14
Polar Surface Area:
36.69
HBA:
3
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4529998 Name:
6-[2-(Benzothiazol-2-ylsulfanyl)-ethoxy]-7-(2-naph
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Mol. Formula:
C31H28N2O2S2
M.W.:
524.71
Type:
Unknown
AlogP:
7.72
Polar Surface Area:
43.38
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
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