Compounds

ALA5271987

Name:
[3,5-bis(trifluoromethyl)phenyl]methyl 3-[[(2S)-2-[[2-(benzyloxycarbonylamiShow More⌵

Mol. Formula:
C37H37F6N5O6

M.W.:
761.72

Type:
---

AlogP:
6.23

Polar Surface Area:
150.65

HBA:
7

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5268226

Name:
(5S,6S,9R)-5-(4-fluorophenyl)-9-[2-(trifluoromethyl)phenyl]-1,7-dioxa-4-azaShow More⌵

Mol. Formula:
C21H21F4NO2

M.W.:
395.40

Type:
---

AlogP:
4.80

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5278537

Name:
[3,5-bis(trifluoromethyl)phenyl]methyl (3S)-2-[(2S)-2-[[2-(benzyloxycarbonyShow More⌵

Mol. Formula:
C37H36F6N4O6

M.W.:
746.70

Type:
---

AlogP:
6.66

Polar Surface Area:
129.83

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5273129

Name:
(5S,6R,9S)-5-(4-fluorophenyl)-9-[2-(trifluoromethyl)phenyl]-1,7-dioxa-4-azaShow More⌵

Mol. Formula:
C21H21F4NO2

M.W.:
395.40

Type:
---

AlogP:
4.80

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5286807

Name:
(3S,5S,10S)-10-(4-fluorophenyl)-3-(2-(trifluoromethyl)phenyl)-1,6-dioxa-9-aShow More⌵

Mol. Formula:
C20H19F4NO2

M.W.:
381.37

Type:
---

AlogP:
4.41

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5286117

Name:
[3,5-bis(trifluoromethyl)phenyl]methyl (3S)-2-acetyl-1,3,4,9-tetrahydropyriShow More⌵

Mol. Formula:
C23H18F6N2O3

M.W.:
484.40

Type:
---

AlogP:
5.22

Polar Surface Area:
62.40

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5285318

Name:
1-(4-(((5S,6S,9S)-5-(4-fluorophenyl)-9-(2-(trifluoromethoxy)phenyl)-1,7-dioShow More⌵

Mol. Formula:
C27H31F4N5O3

M.W.:
549.57

Type:
---

AlogP:
4.77

Polar Surface Area:
75.74

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5284869

Name:
1-(4-(((5S,6S,9S)-5-(4-fluorophenyl)-9-(2-(trifluoromethyl)phenyl)-1,7-dioxShow More⌵

Mol. Formula:
C27H31F4N5O2

M.W.:
533.57

Type:
---

AlogP:
4.89

Polar Surface Area:
66.51

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5283681

Name:
(5S,6R,9R)-5-(4-fluorophenyl)-9-[2-(trifluoromethyl)phenyl]-1,7-dioxa-4-azaShow More⌵

Mol. Formula:
C21H21F4NO2

M.W.:
395.40

Type:
---

AlogP:
4.80

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5291459

Name:
(5S,6S,9S)-5-(4-fluorophenyl)-9-(2-(trifluoromethyl)phenyl)-1,7-dioxa-4-azaShow More⌵

Mol. Formula:
C21H21F4NO2

M.W.:
395.40

Type:
---

AlogP:
4.80

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5290533

Name:
(3S,5S,10S)-10-(4-fluorophenyl)-3-((R)-2-methoxy-6-(5-(trifluoromethyl)-1H-Show More⌵

Mol. Formula:
C22H21F4N5O3

M.W.:
479.43

Type:
---

AlogP:
3.39

Polar Surface Area:
83.32

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5266880

Name:
[3,5-bis(trifluoromethyl)phenyl]methyl 3-acetamido-1,2,4,9-tetrahydrocarbazShow More⌵

Mol. Formula:
C24H20F6N2O3

M.W.:
498.42

Type:
---

AlogP:
5.31

Polar Surface Area:
71.19

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4794099

Name:
(6S,9S,12S,15R,18S,21S,24S,27S,33S,36S,39S,42S)-42-((2S,5S,8S,11S)-8-((1H-iShow More⌵

Mol. Formula:
C169H283N39O32S2

M.W.:
3437.50

13 activity values

4 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4750714

Name:
N-((4S,7S,10R,13S,16S,19S,22S,28S,31S,34R,37S,40S,43S,46R,49S,52S,55S)-52-(Show More⌵

Mol. Formula:
C116H198N22O19S3

M.W.:
2301.20

13 activity values

4 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4576324

Name:
3,5-dichloro-N-[(3R)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-[(3R)-3-[2-Show More⌵

Mol. Formula:
C33H43Cl4N5O3

M.W.:
699.55

3 activity values

3 unique targets

Type:
Unknown

AlogP:
6.86

Polar Surface Area:
77.48

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4299402

Name:
(S)-1-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanaShow More⌵

Mol. Formula:
C56H64F6IN9O8

M.W.:
1232.08

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4218932

Name:
rac-2-Amino-3-cyano-4-p-nitrophenyl-6-(2-pyridyl)-5-phenylsulfinyl-4H-pyran

Mol. Formula:
C23H16N4O4S

M.W.:
444.47

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
138.13

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4218818

Name:
(Ss,Rc)-2-Amino-3-cyano-4-p-chloroyphenyl-6-(2-pyridyl)-5-ptolylsulfinyl-4HShow More⌵

Mol. Formula:
C24H18ClN3O2S

M.W.:
447.95

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
94.99

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4218416

Name:
rac-2-Amino-3-cyano-4-phenyl-6-(2-pyridyl)-5-phenylsulfinyl-4H-pyran

Mol. Formula:
C23H17N3O2S

M.W.:
399.48

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
94.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4218287

Name:
(Ss,Rc)-2-Amino-3-cyano-4-p-tolyl-6-(2-pyridyl)-5-p-tolylsulfinyl-4H-pyran

Mol. Formula:
C25H21N3O2S

M.W.:
427.53

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
94.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS