Compounds

ALA5266918

Name:
6-methoxy-2-(1-(4-(trifluoromethyl)benzyl)-1H-1,2,3-triazol-4-yl)benzo[d]thShow More⌵

Mol. Formula:
C18H13F3N4OS

M.W.:
390.39

Type:
---

AlogP:
4.63

Polar Surface Area:
52.83

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5266253

Name:
3-fluorobenzyl 6-methoxybenzo[d]thiazole-2-carboxylate

Mol. Formula:
C16H12FNO3S

M.W.:
317.34

Type:
---

AlogP:
3.80

Polar Surface Area:
48.42

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5265987

Name:
5-(4-(6-Methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-triazol-1-yl)pyridin-2-amine

Mol. Formula:
C15H12N6OS

M.W.:
324.37

Type:
---

AlogP:
2.53

Polar Surface Area:
91.74

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5265782

Name:
4-((4-(6-methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-triazol-1-yl)methyl)benzonitShow More⌵

Mol. Formula:
C18H13N5OS

M.W.:
347.40

Type:
---

AlogP:
3.48

Polar Surface Area:
76.62

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5220133

Name:
N-((3s,5s,7s)-adamantan-1-yl)-4-(2-(cyclopropylamino)-1-(hydroxyimino)-2-oxShow More⌵

Mol. Formula:
C20H25N3O3S

M.W.:
387.51

1 activity values

1 unique targets

Type:
---

AlogP:
2.90

Polar Surface Area:
90.79

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5220063

Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(Show More⌵

Mol. Formula:
C158H256N60O49

M.W.:
3780.16

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5220020

Name:
4-(1-((allyloxy)imino)-2-(cyclopropylamino)-2-oxoethyl)-N-(4-fluorophenyl)tShow More⌵

Mol. Formula:
C19H18FN3O3S

M.W.:
387.44

1 activity values

1 unique targets

Type:
---

AlogP:
3.32

Polar Surface Area:
79.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5278438

Name:
8-(4-(6-methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-triazol-1-yl)octan-1-ol

Mol. Formula:
C18H24N4O2S

M.W.:
360.48

Type:
---

AlogP:
3.90

Polar Surface Area:
73.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5277173

Name:
2-(1-(6-(Methylamino)pyridin-3-yl)-1H-1,2,3-triazol-4-yl)benzo[d]thiazol-6-Show More⌵

Mol. Formula:
C15H12N6OS

M.W.:
324.37

Type:
---

AlogP:
2.69

Polar Surface Area:
88.75

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5276358

Name:
5-(4-(6-Methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-triazol-1-yl)-N-methylpyridinShow More⌵

Mol. Formula:
C16H14N6OS

M.W.:
338.40

Type:
---

AlogP:
2.99

Polar Surface Area:
77.75

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5274489

Name:
Trans-2-((1r,3r)-3-chlorocyclobutane-1-carboxamido)-N-(4-(4-chlorophenyl)pyShow More⌵

Mol. Formula:
C22H18Cl2N4O2

M.W.:
441.32

Type:
---

AlogP:
5.01

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5273005

Name:
2-(2-(4-(6-methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-triazol-1-yl)ethoxy)ethanoShow More⌵

Mol. Formula:
C14H16N4O3S

M.W.:
320.37

Type:
---

AlogP:
1.57

Polar Surface Area:
82.29

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5273003

Name:
3-(4-(6-methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-triazol-1-yl)propan-1-ol

Mol. Formula:
C13H14N4O2S

M.W.:
290.35

Type:
---

AlogP:
1.95

Polar Surface Area:
73.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5290786

Name:
N-(3-(8-methoxy-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl)-N-methylcyShow More⌵

Mol. Formula:
C21H30N4O

M.W.:
354.50

Type:
---

AlogP:
4.31

Polar Surface Area:
43.86

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5290735

Name:
4-cyanobenzyl 6-methoxybenzo[d]thiazole-2-carboxylate

Mol. Formula:
C17H12N2O3S

M.W.:
324.36

Type:
---

AlogP:
3.53

Polar Surface Area:
72.21

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5290220

Name:
N-(4-(hydroxymethyl)phenyl)-6-methoxybenzo[d]thiazole-2-carboxamide

Mol. Formula:
C16H14N2O3S

M.W.:
314.37

Type:
---

AlogP:
3.05

Polar Surface Area:
71.45

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5287804

Name:
N-(3-cyanophenyl)-6-methoxybenzo[d]thiazole-2-carboxamide

Mol. Formula:
C16H11N3O2S

M.W.:
309.35

Type:
---

AlogP:
3.43

Polar Surface Area:
75.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5287592

Name:
Cis-2-((1s,3s)-3-chlorocyclobutane-1-carboxamido)-N-(4-(4-chlorophenyl)pyriShow More⌵

Mol. Formula:
C22H18Cl2N4O2

M.W.:
441.32

Type:
---

AlogP:
5.01

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5287551

Name:
6-methoxy-N-(pyridin-4-yl)benzo[d]thiazole-2-carboxamide

Mol. Formula:
C14H11N3O2S

M.W.:
285.33

Type:
---

AlogP:
2.95

Polar Surface Area:
64.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5287294

Name:
2-(cyclobutanecarboxamido)-N-(5-phenylpyridin-3-yl)isonicotinamide

Mol. Formula:
C22H20N4O2

M.W.:
372.43

Type:
---

AlogP:
4.13

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS