Compounds

ALA5289399

Name:
ethyl 2'-amino-5-bromo-7'-methyl-2,5'-dioxo-5'H-sp
Show More⌵

Mol. Formula:
C19H15BrN2O6

M.W.:
447.24

Type:
---

AlogP:
2.07

Polar Surface Area:
120.86

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5289156

Name:
Ethyl 3-((((1-(2-(4-methoxyphenyl)-2-oxoethyl)-1H-
Show More⌵

Mol. Formula:
C25H25N5O5

M.W.:
475.51

Type:
---

AlogP:
3.39

Polar Surface Area:
109.83

HBA:
10

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5289020

Name:
N,N-Dimethyl-2-(((2-(triphenyl-gamma4-sulfaneyl)et
Show More⌵

Mol. Formula:
C28H31N3S

M.W.:
441.64

Type:
---

AlogP:
6.22

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5286760

Name:
(S)-N-((S)-1-(((S)-1-amino-5-guanidino-1-oxopentan
Show More⌵

Mol. Formula:
C30H60N8O5S2

M.W.:
677.00

Type:
---

AlogP:
2.43

Polar Surface Area:
221.39

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
28

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5282160

Name:
N,2,6,6-Tetramethyl-4-oxo-N-((4'-(trifluoromethyl)
Show More⌵

Mol. Formula:
C27H27F3N2O2

M.W.:
468.52

Type:
---

AlogP:
6.44

Polar Surface Area:
53.17

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5277171

Name:
(R)-2-(((4-(Dimethylamino)pyridin-2-yl)methyl)amin
Show More⌵

Mol. Formula:
C29H33N5OS

M.W.:
499.68

Type:
---

AlogP:
4.58

Polar Surface Area:
83.28

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5277091

Name:
ethyl 2'-amino-8'-chloro-5-methyl-2,5'-dioxo-5'H-s
Show More⌵

Mol. Formula:
C23H17ClN2O6

M.W.:
452.85

Type:
---

AlogP:
3.12

Polar Surface Area:
120.86

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5276776

Name:
4-(5-((3-(pyridin-3-yl)ureido)methyl)furan-2-yl)be
Show More⌵

Mol. Formula:
C18H15N3O4

M.W.:
337.34

Type:
---

AlogP:
3.36

Polar Surface Area:
104.46

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5274785

Name:
(S)-N-((R)-1-(((S)-1-amino-5-guanidino-1-oxopentan
Show More⌵

Mol. Formula:
C30H60N8O5S2

M.W.:
677.00

Type:
---

AlogP:
2.43

Polar Surface Area:
221.39

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
28

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5273854

Name:
N-Allyl-2-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)m
Show More⌵

Mol. Formula:
C16H18N6O3S

M.W.:
374.43

Type:
---

AlogP:
1.83

Polar Surface Area:
106.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5273711

Name:
Eurochevalierine

Mol. Formula:
C30H40N2O6

M.W.:
524.66

Type:
---

AlogP:
4.18

Polar Surface Area:
113.96

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5273182

Name:
1-((1,3-dioxo-2-(6-oxopiperidin-3-yl)isoindolin-4-
Show More⌵

Mol. Formula:
C44H72N6O9S

M.W.:
861.16

Type:
---

AlogP:
5.41

Polar Surface Area:
185.66

HBA:
11

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
35

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5272503

Name:
(1R,5S)-3-(3-(2,4-di-tert-pentylphenoxy)-2-hydroxy
Show More⌵

Mol. Formula:
C30H44N2O3

M.W.:
480.69

Type:
---

AlogP:
5.08

Polar Surface Area:
54.70

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5269160

Name:
4-(((6-Methoxybenzofuran-2-yl)sulfonyl)methyl)phen
Show More⌵

Mol. Formula:
C18H16O6S

M.W.:
360.39

Type:
---

AlogP:
3.34

Polar Surface Area:
82.81

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5267372

Name:
(2S)-2-(3-(2-(((1,3-dioxo-2-(6-oxopiperidin-3-yl)i
Show More⌵

Mol. Formula:
C45H66N6O7S

M.W.:
835.12

Type:
---

AlogP:
7.27

Polar Surface Area:
167.20

HBA:
9

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
30

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA5266797

Name:
Methyl ((4-(dimethylamino)pyridin-2-yl)methyl)(tri
Show More⌵

Mol. Formula:
C30H33N3O2S

M.W.:
499.68

Type:
---

AlogP:
5.76

Polar Surface Area:
54.46

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5266407

Name:
2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)t
Show More⌵

Mol. Formula:
C28H21N5OS

M.W.:
475.58

Type:
---

AlogP:
5.91

Polar Surface Area:
72.70

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5266251

Name:
ethyl 2'-amino-1-benzyl-7'-methyl-2,5'-dioxo-5'H-s
Show More⌵

Mol. Formula:
C26H22N2O6

M.W.:
458.47

Type:
---

AlogP:
2.91

Polar Surface Area:
112.07

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5205516

Name:
Diethyl-4-(3-nitrophenyl-1-(3,4,5-trimethozybenzoy
Show More⌵

Mol. Formula:
C27H28N2O10

M.W.:
540.53

3 activity values

2 unique targets

Type:
---

AlogP:
3.75

Polar Surface Area:
143.74

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5203864

Name:
Diethyl-1-benzoyl-4-(furan-3-yl)-1,4-dihydropyridi
Show More⌵

Mol. Formula:
C22H21NO6

M.W.:
395.41

4 activity values

3 unique targets

Type:
---

AlogP:
3.41

Polar Surface Area:
86.05

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS