Compounds

ALA5272634

Name:
1-(3'-methoxy-6-methyl-[1,1'-biphenyl]-3-yl)-3-(8-methyl-7-((1-methylpiperiShow More⌵

Mol. Formula:
C31H33N3O5

M.W.:
527.62

Type:
---

AlogP:
6.20

Polar Surface Area:
93.04

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5195667

Name:
(Z)-3-(5-(3-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-1-(4-broShow More⌵

Mol. Formula:
C23H17BrN2O4S2

M.W.:
529.44

1 activity values

1 unique targets

Type:
---

AlogP:
4.55

Polar Surface Area:
66.92

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5178132

Name:
(Z)-1-(4-chlorophenyl)-3-(5-(4-(diethylamino)benzylidene)-4-oxo-2-thioxothiShow More⌵

Mol. Formula:
C24H22ClN3O3S2

M.W.:
500.05

2 activity values

2 unique targets

Type:
---

AlogP:
4.72

Polar Surface Area:
60.93

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5092567

Name:
Methyl (Z)-2-((Z)-4-oxo-2-(((E)-4-(((perfluorobutyl)sulfonyl)oxy)-benzylideShow More⌵

Mol. Formula:
C23H14F9N3O6S2

M.W.:
663.50

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.35

Polar Surface Area:
114.70

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4295186

Name:
5-acetyl-4-(4-methoxy-3-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyl)Show More⌵

Mol. Formula:
C27H33N5O4

M.W.:
491.59

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
107.37

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4291299

Name:
ethyl 4-(3-methoxy-4-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyl)-1HShow More⌵

Mol. Formula:
C28H35N5O5

M.W.:
521.62

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
116.60

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4291047

Name:
5-acetyl-6-methyl-4-(2-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyl)-Show More⌵

Mol. Formula:
C26H31N5O3

M.W.:
461.57

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
98.14

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4291044

Name:
4-(3-methoxy-4-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyl)-1H-1,2,3Show More⌵

Mol. Formula:
C30H37N5O4

M.W.:
531.66

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
107.37

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4289982

Name:
7,7-dimethyl-4-(4-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyl)-1H-1,Show More⌵

Mol. Formula:
C29H35N5O3

M.W.:
501.63

11 activity values

11 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
98.14

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4287622

Name:
5-acetyl-4-(3-methoxy-4-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyl)Show More⌵

Mol. Formula:
C27H33N5O4

M.W.:
491.59

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
107.37

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4287620

Name:
7,7-dimethyl-4-(2-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyl)-1H-1,Show More⌵

Mol. Formula:
C29H35N5O3

M.W.:
501.63

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
98.14

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4287590

Name:
ethyl 6-methyl-2-oxo-4-(4-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyShow More⌵

Mol. Formula:
C27H33N5O4

M.W.:
491.59

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
107.37

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4285039

Name:
ethyl 4-(4-methoxy-3-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyl)-1HShow More⌵

Mol. Formula:
C28H35N5O5

M.W.:
521.62

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
116.60

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4283191

Name:
5-acetyl-6-methyl-4-(3-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyl)-Show More⌵

Mol. Formula:
C26H31N5O3

M.W.:
461.57

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
98.14

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4281264

Name:
ethyl 6-methyl-2-oxo-4-(2-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyShow More⌵

Mol. Formula:
C27H33N5O4

M.W.:
491.59

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
107.37

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4280813

Name:
5-acetyl-6-methyl-4-(4-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyl)-Show More⌵

Mol. Formula:
C26H31N5O3

M.W.:
461.57

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
98.14

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4279711

Name:
4-(4-methoxy-3-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyl)-1H-1,2,3Show More⌵

Mol. Formula:
C30H37N5O4

M.W.:
531.66

11 activity values

11 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
107.37

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4279681

Name:
ethyl 6-methyl-2-oxo-4-(3-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyShow More⌵

Mol. Formula:
C27H33N5O4

M.W.:
491.59

11 activity values

11 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
107.37

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4279298

Name:
7,7-dimethyl-4-(3-((1-(((S)-4-(prop-1-en-2-yl)cyclohex-1-enyl)methyl)-1H-1,Show More⌵

Mol. Formula:
C29H35N5O3

M.W.:
501.63

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
98.14

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3949878

Name:
(3S,6R,12aR)-3,6,9-trimethyl-1,2,11,13-tetraoxatetracyclo-[9.5.3.0(5a-12a)0Show More⌵

Mol. Formula:
C24H32O6

M.W.:
416.51

18 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS