Compounds

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
75.78

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4476767

Name:
Methyl 4-(3,4-Difluorophenyl)-4,6-dimethyl-2-thiaz
Show More⌵

Mol. Formula:
C17H15F2N3O2S

M.W.:
363.39

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
63.58

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4476477

Name:
(2R)-4,4-Difluoro-1-{[(4S)-4-(4-fluorophenyl)-5-me
Show More⌵

Mol. Formula:
C22H23FN4O4S

M.W.:
458.51

6 activity values

Type:
Unknown

AlogP:
2.52

Polar Surface Area:
104.12

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4475750

Name:
({{{[(R)-1-(6-Amino-9H-purin-9-yl)propan-2-yl]oxy}
Show More⌵

Mol. Formula:
C27H49ClN7O8P

M.W.:
666.16

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
219.02

HBA:
15

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4475720

Name:
5-((4-hydroxypiperidin-1-yl)sulfonyl)-2-(methylthi
Show More⌵

Mol. Formula:
C19H19F3N2O4S2

M.W.:
460.50

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
86.71

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4474876

Name:
3-(((3-(((S)-2-Amino-3-methylbutanoyl)thio)propoxy
Show More⌵

Mol. Formula:
C43H71N6O9PS

M.W.:
879.11

Type:
Unknown

AlogP:
6.58

Polar Surface Area:
224.23

HBA:
16

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4540158

Name:
Methyl 4-(4-Fluorophenyl)-4-methyl-6-(piperazin-1-
Show More⌵

Mol. Formula:
C21H24FN5O2S

M.W.:
429.52

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
78.85

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4538538

Name:
3-(((3-(((R)-2-Amino-3-methylbutanoyl)oxy)propoxy)
Show More⌵

Mol. Formula:
C43H71N6O10P

M.W.:
863.05

Type:
Unknown

AlogP:
5.87

Polar Surface Area:
233.46

HBA:
16

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4521446

Name:
Methyl 4-(4-Fluorophenyl)-4-methyl-2-(6-methylpyri
Show More⌵

Mol. Formula:
C23H26FN5O3

M.W.:
439.49

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
88.94

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4520466

Name:
4-(4-Fluorophenyl)-4-methyl-6-(morpholinomethyl)-2
Show More⌵

Mol. Formula:
C20H21FN4O3S

M.W.:
416.48

Type:
Unknown

AlogP:
2.22

Polar Surface Area:
87.05

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4533071

Name:
4-fluoro-3-[(4-hydroxy-1-piperidyl)sulfonyl]-N-(3,
Show More⌵

Cas Number:
1445790-55-5

Mol. Formula:
C18H16F4N2O4S

M.W.:
432.40

60 activity values

6 unique targets

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
86.71

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4531181

Name:
3-((4-hydroxypiperidin-1-yl)sulfonyl)-N-(3,4,5-tri
Show More⌵

Mol. Formula:
C18H17F3N2O4S

M.W.:
414.41

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
86.71

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4560903

Name:
(2R)-3-((((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)
Show More⌵

Mol. Formula:
C44H73N6O10P

M.W.:
877.07

Type:
Unknown

AlogP:
6.26

Polar Surface Area:
233.46

HBA:
16

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4560617

Name:
({{{[(R)-1-(6-Amino-9H-purin-9-yl)propan-2-yl]oxy}
Show More⌵

Mol. Formula:
C21H37ClN7O8P

M.W.:
582.00

19 activity values

6 unique targets

Type:
Unknown

AlogP:
0.97

Polar Surface Area:
219.02

HBA:
15

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4559745

Name:
(2S)-1-[[(4S)-4-(4-Fluorophenyl)-5-methoxycarbonyl
Show More⌵

Mol. Formula:
C22H23FN4O4S

M.W.:
458.51

Type:
Unknown

AlogP:
2.52

Polar Surface Area:
104.12

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4557913

Name:
1-(2'-Deoxy-2'-fluoro-2'-methyl-beta-D-arabinofura
Show More⌵

Mol. Formula:
C10H12FN5O4

M.W.:
285.24

Type:
Unknown

AlogP:
-1.51

Polar Surface Area:
126.15

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4557194

Name:
2-hydroxy-5-((4-hydroxypiperidin-1-yl)sulfonyl)-N-
Show More⌵

Mol. Formula:
C18H17F3N2O5S

M.W.:
430.40

Type:
Unknown

AlogP:
2.21

Polar Surface Area:
106.94

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4557142

Name:
7-Methylamino-1-(2'-deoxy-2'-fluoro-2'-methyl-beta
Show More⌵

Mol. Formula:
C11H15FN6O3

M.W.:
298.28

Type:
Unknown

AlogP:
-0.76

Polar Surface Area:
118.21

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4555377

Name:
Methyl 4-(3-Chloro-4-fluorophenyl)-4-methyl-6-(mor
Show More⌵

Mol. Formula:
C21H22ClFN4O3S

M.W.:
464.95

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
76.05

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4552222

Name:
1-{[4-(4-Fluorophenyl)-5-methoxycarbonyl-4-methyl-
Show More⌵

Mol. Formula:
C22H23FN4O4S

M.W.:
458.51