Compounds

ALA5290093

Name:
N-((2r,5r)-2-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-yl)-5-methyShow More⌵

Mol. Formula:
C26H23FN4O3

M.W.:
458.49

Type:
---

AlogP:
4.51

Polar Surface Area:
89.13

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5268786

Name:
N-((2r,5r)-2-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-yl)-5-methyShow More⌵

Mol. Formula:
C24H26FN5O4

M.W.:
467.50

Type:
---

AlogP:
3.12

Polar Surface Area:
101.60

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4463696

Name:
3-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-(4-hydroxy-6-(6-(1,2,3,4-tetShow More⌵

Mol. Formula:
C35H35N7O5

M.W.:
633.71

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
143.73

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4168810

Name:
2-(6-chloro-5-((2R,5R)-4-(4-fluorobenzyl)-2,5-dimethylpiperazine-1-carbonylShow More⌵

Mol. Formula:
C27H30ClFN4O3

M.W.:
513.01

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
65.86

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4166018

Name:
(1s,4s)-4-(4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl)Show More⌵

Mol. Formula:
C20H21FN4O2

M.W.:
368.41

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
73.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4105358

Name:
4-(4-Fluorophenyl)-1,2-dihydro-6-(4-methoxy-7-methyl-5-oxo-5H-furo[3,2-g]chShow More⌵

Mol. Formula:
C25H15FN2O5

M.W.:
442.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
109.23

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4092497

Name:
4-(4-Fluorophenyl)-1,2-dihydro-2-imino-6-(4-methoxy-7-methyl-5-oxo-5H-furo[Show More⌵

Mol. Formula:
C25H16FN3O4

M.W.:
441.42

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
116.01

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4083494

Name:
4-(4-Fluorophenyl)-1,2-dihydro-2-imino-6-(4,9-dimethoxy-7-methyl-5-oxo-5H-fShow More⌵

Mol. Formula:
C26H18FN3O5

M.W.:
471.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
125.24

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4071708

Name:
1,2-Dihydro-2-imino-6-(4-methoxy-7-methyl-5-oxo-5H-furo[3,2-g]chromen-6-yl)Show More⌵

Mol. Formula:
C27H21N3O6

M.W.:
483.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
134.47

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3925676

Name:
4alpha-(furoic-2-acyl)-4-desoxy-podophyllotoxin

Mol. Formula:
C27H24O10

M.W.:
508.48

112 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
111.89

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3813936

Name:
4-(1-(cyclopropylmethyl)-4-p-tolyl-1H-imidazol-5-yl)pyridine

Mol. Formula:
C19H19N3

M.W.:
289.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3608987

Name:
(2-(4-aminophenylamino)thiazol-5-yl)(2-chlorophenyl)methanone

Mol. Formula:
C16H12ClN3OS

M.W.:
329.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
68.01

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3608986

Name:
(2-(phenylamino)thiazol-5-yl)(o-tolyl)methanone

Mol. Formula:
C17H14N2OS

M.W.:
294.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
41.99

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3608985

Name:
(2-(3-aminophenylamino)thiazol-5-yl)(2-chlorophenyl)methanone

Mol. Formula:
C16H12ClN3OS

M.W.:
329.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
68.01

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3608984

Name:
(2-chlorophenyl)(2-(2-fluoro-3-nitrophenylamino)thiazol-5-yl)methanone

Mol. Formula:
C16H9ClFN3O3S

M.W.:
377.78

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
85.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3608983

Name:
(2-chlorophenyl)(2-(4-hydroxyphenylamino)thiazol-5-yl)methanone

Mol. Formula:
C16H11ClN2O2S

M.W.:
330.80

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
62.22

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3608982

Name:
N-(3-(5-(2-chlorobenzoyl)thiazol-2-ylamino)-2-fluorophenyl)benzamide

Mol. Formula:
C23H15ClFN3O2S

M.W.:
451.91

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.16

Polar Surface Area:
71.09

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3608981

Name:
(2-chlorophenyl)(2-(3-nitrophenylamino)thiazol-5-yl)methanone

Mol. Formula:
C16H10ClN3O3S

M.W.:
359.79

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
85.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3608980

Name:
(2-chlorophenyl)(2-(4-methoxyphenylamino)thiazol-5-yl)methanone

Mol. Formula:
C17H13ClN2O2S

M.W.:
344.82

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
51.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3608979

Name:
(3-hydroxyphenyl)(2-(phenylamino)thiazol-5-yl)methanone

Mol. Formula:
C16H12N2O2S

M.W.:
296.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
62.22

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS