Compounds

Type:
---

AlogP:
3.65

Polar Surface Area:
39.19

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5209294

Name:
2-Ethynyl-N-(7-(hydroxyamino)-7-oxoheptyl)thiazole-4-carboxamide

Mol. Formula:
C13H17N3O3S

M.W.:
295.36

62 activity values

47 unique targets

Type:
---

AlogP:
1.31

Polar Surface Area:
91.32

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5208134

Name:
(2-ethynylthiazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

Mol. Formula:
C16H14FN3OS

M.W.:
315.37

Type:
---

AlogP:
2.23

Polar Surface Area:
36.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5207422

Name:
(2-ethynylthiazol-4-yl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanShow More⌵

Mol. Formula:
C17H14F3N3OS

M.W.:
365.38

Type:
---

AlogP:
3.11

Polar Surface Area:
36.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5206350

Name:
Ethyl (E)-8-(2-ethynylthiazol-4-yl)oct-7-enoate

Mol. Formula:
C15H19NO2S

M.W.:
277.39

Type:
---

AlogP:
3.65

Polar Surface Area:
39.19

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5190989

Name:
2-Ethynyl-1-methyl-1H-benzo[d]imidazole

Mol. Formula:
C10H8N2

M.W.:
156.19

Type:
---

AlogP:
1.55

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.53

DETAILS

ALA5189555

Name:
(4-ethylpiperazin-1-yl)-(2-ethynylthiazol-4-yl)methanone

Mol. Formula:
C12H15N3OS

M.W.:
249.34

Type:
---

AlogP:
0.90

Polar Surface Area:
36.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5188646

Name:
Methyl (2E,4E)-5-(2-ethynylthiazol-4-yl)penta-2,4-dienoate

Mol. Formula:
C11H9NO2S

M.W.:
219.26

Type:
---

AlogP:
1.87

Polar Surface Area:
39.19

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5187535

Name:
(1S)-methyl 2-(2-chloroacetyl)-1-(4-(methoxycarbonyl)phenyl)-2,3,4,9-tetrahShow More⌵

Mol. Formula:
C23H21ClN2O5

M.W.:
440.88

Type:
---

AlogP:
3.21

Polar Surface Area:
88.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5186798

Name:
(E)-8-(2-ethynylthiazol-4-yl)-N-hydroxyoct-7-enamide

Mol. Formula:
C13H16N2O2S

M.W.:
264.35

8 activity values

8 unique targets

Type:
---

AlogP:
2.59

Polar Surface Area:
62.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5183191

Name:
4,4-Dimethyl-2-(prop-1-yn-1-yl)-4H-benzo[d]oxazine

Mol. Formula:
C13H13NO

M.W.:
199.25

Type:
---

AlogP:
3.01

Polar Surface Area:
21.59

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5183096

Name:
Methyl 7-(2-ethynylthiazole-4-carboxamido)heptanoate

Mol. Formula:
C14H18N2O3S

M.W.:
294.38

Type:
---

AlogP:
1.98

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5181955

Name:
(E/Z)-8-(2-ethynylthiazol-4-yl)-N-hydroxyoct-7-enamide

Mol. Formula:
C13H16N2O2S

M.W.:
264.35

Type:
---

AlogP:
2.59

Polar Surface Area:
62.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5181798

Name:
(Z)-8-(2-ethynylthiazol-4-yl)-N-hydroxyoct-7-enamide

Mol. Formula:
C13H16N2O2S

M.W.:
264.35

10 activity values

8 unique targets

Type:
---

AlogP:
2.59

Polar Surface Area:
62.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5181503

Name:
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethynylthiazol-4-yl)methanone

Mol. Formula:
C16H14ClN3OS

M.W.:
331.83

Type:
---

AlogP:
2.74

Polar Surface Area:
36.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5181479

Name:
(E)-3-(2-ethynylthiazol-4-yl)-N-hydroxyacrylamide

Mol. Formula:
C8H6N2O2S

M.W.:
194.22

9 activity values

8 unique targets

Type:
---

AlogP:
0.64

Polar Surface Area:
62.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5181199

Name:
Methyl (E)-3-(2-ethynylthiazol-4-yl)acrylate

Mol. Formula:
C9H7NO2S

M.W.:
193.23

Type:
---

AlogP:
1.31

Polar Surface Area:
39.19

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5178762

Name:
2-Vinylbenzo[d][1,3]selenazole

Mol. Formula:
C9H7NSe

M.W.:
208.12

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5177948

Name:
(E)-1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2-ethynylthiazol-4-yShow More⌵

Mol. Formula:
C25H21Cl2N3OS

M.W.:
482.44