Compounds

ALA4218730

Name:
(1R,4aS,10aR)-7-isopropyl-N-((S)-1-(3-methoxyphenylamino)-1-oxo-3-phenylproShow More⌵

Mol. Formula:
C52H60N4O7S

M.W.:
885.14

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
8.73

Polar Surface Area:
151.93

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4216220

Name:
(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-N-((S)-1-oxo-3-phenyl-1-(phenylaminShow More⌵

Mol. Formula:
C50H56N4O5S

M.W.:
825.09

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
8.71

Polar Surface Area:
133.47

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4216154

Name:
(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-N-((S)-1-oxo-3-phenyl-1-(o-tolylamiShow More⌵

Mol. Formula:
C52H60N4O5S

M.W.:
853.14

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
9.33

Polar Surface Area:
133.47

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4215930

Name:
(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-N-((R)-1-oxo-3-phenyl-1-(p-tolylamiShow More⌵

Mol. Formula:
C52H60N4O5S

M.W.:
853.14

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
9.33

Polar Surface Area:
133.47

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4215396

Name:
(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-N-((S)-1-oxo-3-phenyl-1-(m-tolylamiShow More⌵

Mol. Formula:
C52H60N4O5S

M.W.:
853.14

27 activity values

8 unique targets

Type:
Small molecule

AlogP:
9.33

Polar Surface Area:
133.47

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4215193

Name:
(4bS,8R,8aR)-8-((S)-1-(2-fluorophenylamino)-1-oxo-3-phenylpropan-2-ylcarbamShow More⌵

Mol. Formula:
C35H41FN2O5S

M.W.:
620.79

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
6.57

Polar Surface Area:
112.57

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4214716

Name:
(1R,4aS,10aR)-N-((R)-1-(3-chloro-4-fluorophenylamino)-1-oxo-3-phenylpropan-Show More⌵

Mol. Formula:
C50H52Cl2F2N4O5S

M.W.:
929.96

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
10.30

Polar Surface Area:
133.47

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4214656

Name:
(4bS,8R,8aR)-8-((R)-1-(2-bromophenylamino)-1-oxo-3-phenylpropan-2-ylcarbamoShow More⌵

Mol. Formula:
C35H41BrN2O5S

M.W.:
681.69

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
7.20

Polar Surface Area:
112.57

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4214436

Name:
(1R,4aS,10aR)-7-isopropyl-N-((S)-1-(2-methoxyphenylamino)-1-oxo-3-phenylproShow More⌵

Mol. Formula:
C52H60N4O7S

M.W.:
885.14

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
8.73

Polar Surface Area:
151.93

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4213804

Name:
(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-N-((R)-1-oxo-3-phenyl-1-(m-tolylamiShow More⌵

Mol. Formula:
C52H60N4O5S

M.W.:
853.14

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
9.33

Polar Surface Area:
133.47

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4212449

Name:
(1R,4aS,10aR)-N-((R)-1-(2-fluorophenylamino)-1-oxo-3-phenylpropan-2-yl)-6-(Show More⌵

Mol. Formula:
C50H54F2N4O5S

M.W.:
861.07

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
8.99

Polar Surface Area:
133.47

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4211771

Name:
(1R,4aS,10aR)-N-((S)-1-(3-bromophenylamino)-1-oxo-3-phenylpropan-2-yl)-6-(NShow More⌵

Mol. Formula:
C50H54Br2N4O5S

M.W.:
982.88

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
10.24

Polar Surface Area:
133.47

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4211708

Name:
(1R,4aS,10aR)-7-isopropyl-N-((R)-1-(2-methoxyphenylamino)-1-oxo-3-phenylproShow More⌵

Mol. Formula:
C52H60N4O7S

M.W.:
885.14

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
8.73

Polar Surface Area:
151.93

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4211700

Name:
(4bS,8R,8aR)-2-isopropyl-8-((R)-1-(2-methoxyphenylamino)-1-oxo-3-phenylpropShow More⌵

Mol. Formula:
C36H44N2O6S

M.W.:
632.82

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
6.44

Polar Surface Area:
121.80

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4211258

Name:
(1R,4aS,10aR)-7-isopropyl-N-((R)-1-(3-methoxyphenylamino)-1-oxo-3-phenylproShow More⌵

Mol. Formula:
C52H60N4O7S

M.W.:
885.14

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
8.73

Polar Surface Area:
151.93

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4211189

Name:
(4bS,8R,8aR)-8-((S)-1-(3-fluorophenylamino)-1-oxo-3-phenylpropan-2-ylcarbamShow More⌵

Mol. Formula:
C35H41FN2O5S

M.W.:
620.79

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
6.57

Polar Surface Area:
112.57

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4210975

Name:
(1R,4aS,10aR)-7-isopropyl-N-((S)-1-(4-methoxyphenylamino)-1-oxo-3-phenylproShow More⌵

Mol. Formula:
C52H60N4O7S

M.W.:
885.14

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
8.73

Polar Surface Area:
151.93

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4210262

Name:
(4bS,8R,8aR)-2-isopropyl-8-((S)-1-(4-methoxyphenylamino)-1-oxo-3-phenylpropShow More⌵

Mol. Formula:
C36H44N2O6S

M.W.:
632.82

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
6.44

Polar Surface Area:
121.80

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4207542

Name:
(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-N-((S)-1-oxo-3-phenyl-1-(p-tolylamiShow More⌵

Mol. Formula:
C52H60N4O5S

M.W.:
853.14

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
9.33

Polar Surface Area:
133.47

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4207416

Name:
(1R,4aS,10aR)-N-((R)-1-(3-fluorophenylamino)-1-oxo-3-phenylpropan-2-yl)-6-(Show More⌵

Mol. Formula:
C50H54F2N4O5S

M.W.:
861.07

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
8.99

Polar Surface Area:
133.47

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS