Compounds

ALA5282175

Name:
4-((E)-(((Z)-4-cyclopropyl-2-(phenylimino)thiazol-3(2H)-yl)imino)methyl)benShow More⌵

Mol. Formula:
C19H18BrN3O3S

M.W.:
448.34

Type:
---

AlogP:
3.66

Polar Surface Area:
90.34

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5281728

Name:
(S)-2-acetamido-N-(2-((2-(dimethylamino)ethyl)disulfaneyl)ethyl)-3-(1H-indoShow More⌵

Mol. Formula:
C19H28N4O2S2

M.W.:
408.59

Type:
---

AlogP:
2.27

Polar Surface Area:
77.23

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5267837

Name:
(E)-1-(3-bromophenyl)-5-((E)-3-phenylallylidene)-2-thioxodihydropyrimidine-Show More⌵

Mol. Formula:
C19H13BrN2O2S

M.W.:
413.30

Type:
---

AlogP:
3.84

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5283854

Name:
4-((E)-(((Z)-4-methyl-2-(phenylimino)thiazol-3(2H)-yl)imino)methyl)benzene-Show More⌵

Mol. Formula:
C17H16ClN3O3S

M.W.:
377.85

Type:
---

AlogP:
3.09

Polar Surface Area:
90.34

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5282751

Name:
(E)-1-(4-ethoxyphenyl)-5-((E)-3-phenylallylidene)-2-thioxodihydropyrimidineShow More⌵

Mol. Formula:
C21H18N2O3S

M.W.:
378.45

Type:
---

AlogP:
3.47

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5198914

Name:
1-(4-(2-(3,3-Dimethylbutyl)-6-(3-fluorophenyl)-2H-indazol-3-yl)piperazin-1-Show More⌵

Mol. Formula:
C26H31FN4O

M.W.:
434.56

1 activity values

1 unique targets

Type:
---

AlogP:
5.11

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5196465

Name:
1-(4-(6-(3-Fluorophenyl)-2-(4-hydroxybenzyl)-2H-indazol-3-yl)piperazin-1-ylShow More⌵

Mol. Formula:
C27H25FN4O2

M.W.:
456.52

1 activity values

1 unique targets

Type:
---

AlogP:
4.43

Polar Surface Area:
61.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5200494

Name:
1-(4-(6-(3-Fluorophenyl)-2-(3-hydroxypropyl)-2H-indazol-3-yl)piperazin-1-ylShow More⌵

Mol. Formula:
C23H25FN4O2

M.W.:
408.48

1 activity values

1 unique targets

Type:
---

AlogP:
3.06

Polar Surface Area:
61.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5199717

Name:
3-((3-(4-Acryloylpiperazin-1-yl)-6-(3-fluorophenyl)-2H-indazol-2-yl)methyl)Show More⌵

Mol. Formula:
C28H25FN4O3

M.W.:
484.53

1 activity values

1 unique targets

Type:
---

AlogP:
4.42

Polar Surface Area:
78.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5208811

Name:
4-((3-(4-Acryloylpiperazin-1-yl)-6-(3-fluorophenyl)-2H-imdazol-2-yl)methyl)Show More⌵

Mol. Formula:
C28H24FN5O

M.W.:
465.53

1 activity values

1 unique targets

Type:
---

AlogP:
4.60

Polar Surface Area:
65.16

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5207703

Name:
3-((3-(4-Acryloylpiperazin-1-yl)-6-(3-fluorophenyl)-2H-indazol-2-yl)methyl)Show More⌵

Mol. Formula:
C28H24FN5O

M.W.:
465.53

1 activity values

1 unique targets

Type:
---

AlogP:
4.60

Polar Surface Area:
65.16

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5206188

Name:
2-acetamido-N-(2-((2-(dimethylamino)ethyl)disulfanyl)ethyl)-3-(1H-indol-3-yShow More⌵

Mol. Formula:
C19H28N4O2S2

M.W.:
408.59

1 activity values

1 unique targets

Type:
---

AlogP:
2.27

Polar Surface Area:
77.23

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5192473

Name:
1-(4-(6-(3-Fluorophenyl)-2-(3-hydroxybenzyl)-2H-indazol-3-yl)piperazin-1-ylShow More⌵

Mol. Formula:
C27H25FN4O2

M.W.:
456.52

1 activity values

1 unique targets

Type:
---

AlogP:
4.43

Polar Surface Area:
61.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5191993

Name:
1-(4-(6-(3-Fluorophenyl)-2-propyl-2H-indazol-3-yl)piperazin-1-yl)prop-2-en-Show More⌵

Mol. Formula:
C23H25FN4O

M.W.:
392.48

1 activity values

1 unique targets

Type:
---

AlogP:
4.09

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5189912

Name:
N-[(2-methyl-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-amine

Mol. Formula:
C22H21N3S

M.W.:
359.50

6 activity values

4 unique targets

Type:
---

AlogP:
5.79

Polar Surface Area:
40.71

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5189196

Name:
1-(4-(6-(3-Fluorophenyl)-2-(4-methoxybenzyl)-2H-indazol-3-yl)piperazin-1-ylShow More⌵

Mol. Formula:
C28H27FN4O2

M.W.:
470.55

1 activity values

1 unique targets

Type:
---

AlogP:
4.73

Polar Surface Area:
50.60

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5187810

Name:
1-(4-(2-Ethyl-6-(3-fluorophenyl)-2H-indazol-3-yl)piperazin-1-yl)prop-2-en-1Show More⌵

Mol. Formula:
C22H23FN4O

M.W.:
378.45

1 activity values

1 unique targets

Type:
---

AlogP:
3.70

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5187123

Name:
1-(4-(2-(3-Chlorobenzyl)-6-(3-fluorophenyl)-2H-indazol-3-yl)piperazin-1-yl)Show More⌵

Mol. Formula:
C27H24ClFN4O

M.W.:
474.97

1 activity values

1 unique targets

Type:
---

AlogP:
5.38

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5180166

Name:
1-[4-[2-[3-(dimethylamino)propyl]-6-(3-fluorophenyl)indazol-3-yl]piperazin-Show More⌵

Mol. Formula:
C25H30FN5O

M.W.:
435.55

1 activity values

1 unique targets

Type:
---

AlogP:
3.63

Polar Surface Area:
44.61

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5175046

Name:
1-(4-(6-(3-Fluorophenyl)-2-(3-methoxypropyl)-2H-indazol-3-yl)piperazin-1-ylShow More⌵

Mol. Formula:
C24H27FN4O2

M.W.:
422.50

1 activity values

1 unique targets

Type:
---

AlogP:
3.71

Polar Surface Area:
50.60

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS