Compounds

Type:
Unknown

AlogP:
0.53

Polar Surface Area:
116.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4583643

Name:
4-(tert-Butylamino)-N-benzyl-1-(hydroxy)-1,2,3,6-tetrahydro-2,6-dioxopyrimiShow More⌵

Mol. Formula:
C16H20N4O4

M.W.:
332.36

Type:
Unknown

AlogP:
0.91

Polar Surface Area:
116.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4583283

Name:
6-(ethylamino)-N-(3-fluorobenzyl)-3-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrShow More⌵

Mol. Formula:
C14H15FN4O4

M.W.:
322.30

Type:
Unknown

AlogP:
0.27

Polar Surface Area:
116.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4575590

Name:
N-Benzyl-1-(hydroxy)-4-(ethylamino)-1,2,3,6-tetrahydro-2,6-dioxopyrimidine-Show More⌵

Mol. Formula:
C14H16N4O4

M.W.:
304.31

18 activity values

Type:
Unknown

AlogP:
0.14

Polar Surface Area:
116.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4572031

Name:
N-Benzyl-1-(hydroxy)-4-(cyclopropylamino)-1,2,3,6-tetrahydro-2,6-dioxopyrimShow More⌵

Mol. Formula:
C15H16N4O4

M.W.:
316.32

Type:
Unknown

AlogP:
0.28

Polar Surface Area:
116.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4566749

Name:
N-(4-Fluorobenzyl)-1-(hydroxy)-1,2,3,6-tetrahydro-4-(methylamino)-2,6-dioxoShow More⌵

Mol. Formula:
C13H13FN4O4

M.W.:
308.27

Type:
Unknown

AlogP:
-0.12

Polar Surface Area:
116.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4564306

Name:
N-Benzyl-1-(hydroxy)-1,2,3,6-tetrahydro-4-(isopropylamino)-2,6-dioxopyrimidShow More⌵

Mol. Formula:
C15H18N4O4

M.W.:
318.33

Type:
Unknown

AlogP:
0.52

Polar Surface Area:
116.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4560700

Name:
N-(4-Fluorobenzyl)-1-(hydroxy)-4-(ethylamino)-1,2,3,6-tetrahydro-2,6-dioxopShow More⌵

Mol. Formula:
C14H15FN4O4

M.W.:
322.30

18 activity values

Type:
Unknown

AlogP:
0.27

Polar Surface Area:
116.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4546928

Name:
N-(3-Chloro-2-fluorobenzyl)-1-(hydroxy)-1,2,3,6-tetrahydro-4-(methylamino)-Show More⌵

Mol. Formula:
C13H12ClFN4O4

M.W.:
342.71

Type:
Unknown

AlogP:
0.54

Polar Surface Area:
116.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4541705

Name:
N-Benzyl-1-(hydroxy)-1,2,3,6-tetrahydro-4-(methylamino)-2,6-dioxopyrimidineShow More⌵

Mol. Formula:
C13H14N4O4

M.W.:
290.28

18 activity values

Type:
Unknown

AlogP:
-0.25

Polar Surface Area:
116.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4540879

Name:
N-(3-Fluorobenzyl)-1-(hydroxy)-1,2,3,6-tetrahydro-4-(methylamino)-2,6-dioxoShow More⌵

Mol. Formula:
C13H13FN4O4

M.W.:
308.27

Type:
Unknown

AlogP:
-0.12

Polar Surface Area:
116.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4530287

Name:
6-amino-N-benzyl-3-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxaShow More⌵

Mol. Formula:
C12H12N4O4

M.W.:
276.25

Type:
Unknown

AlogP:
-0.71

Polar Surface Area:
130.21

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4525700

Name:
N-(3-Chloro-2-fluorobenzyl)-1-(hydroxy)-1,2,3,6-tetrahydro-2,6-dioxo-4-(proShow More⌵

Mol. Formula:
C15H16ClFN4O4

M.W.:
370.77

Type:
Unknown

AlogP:
1.32

Polar Surface Area:
116.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4463615

Name:
(2-(1-amino-2-methyl-1-oxopropan-2-ylcarbamoyl)-4-(trifluoromethoxy)phenyltShow More⌵

Mol. Formula:
C17H21F3N2O5S

M.W.:
422.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
107.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3621608

Name:
4-(4-Chlorophenyl)-5-(5-((4-methoxyphenyl)diazenyl)-4-methylthiazol-2-yl)-3Show More⌵

Mol. Formula:
C27H21ClN6O2S

M.W.:
529.03

8 activity values

Type:
Small molecule

AlogP:
8.12

Polar Surface Area:
88.14

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3621607

Name:
5-(5-((4-Bromophenyl)diazenyl)-4-methylthiazol-2-yl)-4-(4-chlorophenyl)-3-pShow More⌵

Mol. Formula:
C26H18BrClN6OS

M.W.:
577.90

8 activity values