Compounds

ALA5207649

Name:
5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine

Mol. Formula:
C21H21ClN2O4

M.W.:
400.86

117 activity values

10 unique targets

Type:
---

AlogP:
4.89

Polar Surface Area:
62.70

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4797381

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

Mol. Formula:
C30H27FN4O7

M.W.:
574.57

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
106.40

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4797299

Name:
(3S)-3-((5R)-9-bromo-6-((1-(2-hydroxybutyl)-1H-1,2,3-triazol-4-yl)methyl)-4Show More⌵

Mol. Formula:
C28H31BrN4O8

M.W.:
631.48

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
126.63

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4792014

Name:
(S)-3-((R)-6-((1-(2-hydroxy-2-methylpropyl)-1H-1,2,3-triazol-4-yl)methyl)-4Show More⌵

Mol. Formula:
C28H32N4O8

M.W.:
552.58

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
126.63

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4778340

Name:
(S)-3-((R)-9-bromo-6-((1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-4-yl)methylShow More⌵

Mol. Formula:
C32H31BrN4O9

M.W.:
695.52

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
124.86

HBA:
13

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4764952

Name:
(S)-3-((R)-9-bromo-6-((1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl)methyl)-4-mShow More⌵

Mol. Formula:
C30H26BrFN4O7

M.W.:
653.46

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
106.40

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4758024

Name:
(S)-3-((R)-9-bromo-6-((1-(2-hydroxy-2-methylpropyl)-1H-1,2,3-triazol-4-yl)mShow More⌵

Mol. Formula:
C28H31BrN4O8

M.W.:
631.48

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
126.63

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4756812

Name:
(S)-3-((R)-9-bromo-6-((1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl)methyl)-4-meShow More⌵

Mol. Formula:
C30H26Br2N4O7

M.W.:
714.37

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.56

Polar Surface Area:
106.40

HBA:
11

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4754682

Name:
(3S)-3-((5R)-6-((1-(2-hydroxybutyl)-1H-1,2,3-triazol-4-yl)methyl)-4-methoxyShow More⌵

Mol. Formula:
C28H32N4O8

M.W.:
552.58

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
126.63

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4751205

Name:
(S)-3-((R)-6-((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)-4-methoxy-5,6,7,8-tetShow More⌵

Mol. Formula:
C31H30N4O7

M.W.:
570.60

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
106.40

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4747307

Name:
(S)-3-((R)-9-bromo-6-((1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)Show More⌵

Mol. Formula:
C30H25BrCl2N4O7

M.W.:
704.36

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.10

Polar Surface Area:
106.40

HBA:
11

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS