Compounds

ALA5271067

Name:
1-(3-((7-chloroquinolin-4-yl)amino)phenyl)-3-(3,4-dimethoxyphenyl)prop-2-enShow More⌵

Mol. Formula:
C26H21ClN2O3

M.W.:
444.92

Type:
---

AlogP:
6.55

Polar Surface Area:
60.45

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5282068

Name:
trimethyl(3-((3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyldecahydro-12H-3,12-Show More⌵

Mol. Formula:
C37H62O8Si

M.W.:
662.98

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5280548

Name:
N-(4-fluorophenyl)-3-((3S,5aS,6R,8aS,9R,12R,12aR)-3,6,9-trimethyldecahydro-Show More⌵

Mol. Formula:
C24H32FNO5

M.W.:
433.52

Type:
---

AlogP:
4.79

Polar Surface Area:
66.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5279393

Name:

Mol. Formula:
C22H29NO6

M.W.:
403.48

Type:
---

AlogP:
4.00

Polar Surface Area:
86.25

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5285464

Name:

Mol. Formula:
C21H28ClNO4

M.W.:
393.91

Type:
---

AlogP:
4.96

Polar Surface Area:
48.95

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5285454

Name:
2-((7-chloroquinolin-4-yl)amino)ethyl ((3R,5aS,6R,9R,10S,12R,12aR)-3,6,9-trShow More⌵

Mol. Formula:
C30H37ClN2O8

M.W.:
589.09

Type:
---

AlogP:
5.37

Polar Surface Area:
114.44

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5285148

Name:

Mol. Formula:
C28H41NO7

M.W.:
503.64

Type:
---

AlogP:
4.51

Polar Surface Area:
78.85

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5290880

Name:
1-(4-(trifluoromethyl)phenyl)-4-(2-((3S,5aS,6R,8aS,9R,12R,12aR)-3,6,9-trimeShow More⌵

Mol. Formula:
C28H39F3N2O4

M.W.:
524.62

Type:
---

AlogP:
5.47

Polar Surface Area:
43.40

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5290860

Name:

Mol. Formula:
C21H28ClNO4

M.W.:
393.91

Type:
---

AlogP:
4.96

Polar Surface Area:
48.95

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5289644

Name:

Mol. Formula:
C37H55NO14

M.W.:
737.84

Type:
---

AlogP:
5.20

Polar Surface Area:
168.26

HBA:
14

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5289561

Name:
Arteether

Mol. Formula:
C18H30O4

M.W.:
310.43

Type:
---

AlogP:
3.69

Polar Surface Area:
36.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5288630

Name:
Emamectin

Mol. Formula:
C49H77NO13

M.W.:
888.15

Type:
---

AlogP:
5.83

Polar Surface Area:
161.86

HBA:
14

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5288586

Name:
1-(3-((7-chloroquinolin-4-yl)amino)phenyl)-3-(3,4,5-trimethoxyphenyl)prop-2Show More⌵

Mol. Formula:
C27H23ClN2O4

M.W.:
474.94

Type:
---

AlogP:
6.55

Polar Surface Area:
69.68

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5287926

Name:
Artemisone

Mol. Formula:
C19H31NO6S

M.W.:
401.53

Type:
---

AlogP:
1.92

Polar Surface Area:
74.30

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5287197

Name:
3'-(4-methylphenyl)-1'-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipShow More⌵

Mol. Formula:
C23H20N4S

M.W.:
384.51

Type:
---

AlogP:
5.35

Polar Surface Area:
42.21

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5203456

Name:
(S)-1-(2,8-Bis(trifluoromethyl)quinolin-4-yl)-2-(((S)-1-methoxy-3-phenylproShow More⌵

Mol. Formula:
C23H23ClF6N2O2

M.W.:
508.89

2 activity values

1 unique targets

Type:
---

AlogP:
5.15

Polar Surface Area:
54.38

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5183989

Name:
(2S,5R)-2-benzhydryl 3'-tert-butyl 3,3-dimethyl-7-oxo-2',2'-diphenyl-4-thiaShow More⌵

Mol. Formula:
C40H39NO5S

M.W.:
645.82

1 activity values

1 unique targets

Type:
---

AlogP:
7.33

Polar Surface Area:
72.91

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5179365

Name:
2-bromo-N-(2-(piperidin-1-yl)ethyl)-10H-indolo[3,2-b]quinoline-11-carboxamiShow More⌵

Mol. Formula:
C23H23BrN4O

M.W.:
451.37

6 activity values

4 unique targets

Type:
---

AlogP:
4.85

Polar Surface Area:
61.02

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5175262

Name:
(2S,5R)-benzhydryl 3,3-dimethyl-7-oxo-5',5'-diphenyl-4'-pivaloyl-4',5'-dihyShow More⌵

Mol. Formula:
C40H39N3O4S

M.W.:
657.84

1 activity values

1 unique targets

Type:
---

AlogP:
7.76

Polar Surface Area:
88.40

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4798154

Name:
6,7-Dimethoxy-N4-(2-methylphenyl)-2-(pyrrolidin-1-yl)quinazolin-4-amine hydShow More⌵

Mol. Formula:
C21H25ClN4O2

M.W.:
400.91

6 activity values

1 unique targets

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
59.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS