Compounds

Type:
Unknown

AlogP:
5.99

Polar Surface Area:
35.94

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4878045

Name:
2-chloro-3-((((1-(2-fluorophenyl)cyclopentyl)methyl)(phenyl)amino)methyl)phShow More⌵

Mol. Formula:
C25H25ClFNO

M.W.:
409.93

3 activity values

Type:
Unknown

AlogP:
6.70

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4877968

Name:
(1R,3R)-1-(2-fluoro-4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-3-meShow More⌵

Mol. Formula:
C25H29F2N3O3S

M.W.:
489.59

14 activity values

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
65.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4877406

Name:
2,2-Difluoro-3-((1R,3R)-1-(4-((1-(3-fluoropropyl)azetidin-3-yl)amino)phenylShow More⌵

Mol. Formula:
C27H33F3N4O

M.W.:
486.58

Type:
Unknown

AlogP:
4.59

Polar Surface Area:
54.53

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4877338

Name:
3-((1R,3R)-1-(2,6-Difluoro-4-((1-(3-fluoropropyl)azetidin-3-yl)amino)phenylShow More⌵

Mol. Formula:
C27H30F6N4O

M.W.:
540.55

13 activity values

Type:
Unknown

AlogP:
5.00

Polar Surface Area:
54.53

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4877124

Name:
(2S,4R)-1-((R)-2-(2-((1-(2-(4-((2-chloro-3-hydroxybenzyl)((1-(2-fluorophenyShow More⌵

Mol. Formula:
C55H64ClFN8O7S

M.W.:
1035.68

19 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4875988

Name:
Rac-8-(4-(3-(4-Hydroxyphenyl)-6-(N-(p-tolyl)-N-(2,2,2-trifluoroethyl)sulfamShow More⌵

Mol. Formula:
C35H37F3N2O7S

M.W.:
686.75

16 activity values

7 unique targets

Type:
Unknown

AlogP:
6.91

Polar Surface Area:
133.24

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4873959

Name:
(4R)-2-((R)-2-(1-fluorocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydShow More⌵

Mol. Formula:
C55H61FN8O9S

M.W.:
1029.20

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4873860

Name:
3-((1R,3R)-1-(2,6-Difluoro-4-((1-(3-fluoropropyl)azetidin-3-yl)amino)phenylShow More⌵

Mol. Formula:
C27H30F6N4O

M.W.:
540.55

Type:
Unknown

AlogP:
5.00

Polar Surface Area:
54.53

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4873534

Name:
2-(2,6-dioxopiperidin-3-yl)-4-(2-((1-(2-(4-((5-hydroxy-2-(4-hydroxyphenyl)-Show More⌵

Mol. Formula:
C42H38N6O9

M.W.:
770.80

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
187.34

HBA:
13

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4871601

Name:
3-((1R,3R)-1-(2,6-Difluoro-4-((1-(3-fluoro-2-(fluoromethyl)propyl)azetidin-Show More⌵

Mol. Formula:
C28H32F6N4O

M.W.:
554.58

Type:
Unknown

AlogP:
5.06

Polar Surface Area:
54.53

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4871161

Name:
3-((1R,3R)-1-(2,6-Difluoro-4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyShow More⌵

Mol. Formula:
C27H30F5N3O2

M.W.:
523.55

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
51.73

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4870873

Name:
(2S,4R)-1-((R)-2-(2-(2-((1-(2-(4-((2-chloro-3-hydroxybenzyl)((1-(2-fluorophShow More⌵

Mol. Formula:
C57H68ClFN8O8S

M.W.:
1079.74

38 activity values

9 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4870760

Name:
Rac-8-(4-(3-(4-Hydroxyphenyl)-6-(N-methyl-N-(m-tolyl)sulfamoyl)-7-oxabicyclShow More⌵

Mol. Formula:
C34H38N2O7S

M.W.:
618.75

14 activity values

7 unique targets

Type:
Unknown

AlogP:
5.98

Polar Surface Area:
133.24

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4869947

Name:
(2S,4R)-N-(2-(2-(2-((1-(2-(4-((2-chloro-3-hydroxybenzyl)((1-(2-fluorophenylShow More⌵

Mol. Formula:
C61H73ClF2N8O8S

M.W.:
1151.82

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4869698

Name:
3-((1R,3R)-1-(4-((1-(3,3-Difluoropropyl)azetidin-3-yl)amino)-2,6-difluorophShow More⌵

Mol. Formula:
C27H30F6N4O

M.W.:
540.55

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
54.53

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4869612

Name:
(1S,3R)-2-(2-Fluoro-2-methylpropyl)-1-(3-fluoro-5-(2-(3-(fluoromethyl)azetiShow More⌵

Mol. Formula:
C27H33F3N4O

M.W.:
486.58

Type:
Unknown

AlogP:
5.07

Polar Surface Area:
44.39

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4867106

Name:
(1R,3R)-1-(2,6-Difluoro-4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-Show More⌵

Mol. Formula:
C29H34F3N3O2

M.W.:
513.60

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
40.73

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4866232

Name:
3-((1R,3R)-1-(2,6-Difluoro-4-((2-(3-(fluoromethyl)azetidin-1-yl)ethyl)aminoShow More⌵

Mol. Formula:
C27H31F5N4O

M.W.:
522.56