Compounds

ALA4594004

Name:
N-[2-(2-chlorophenyl)sulfanylethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyriShow More⌵

Mol. Formula:
C18H18ClF3N2O3S2

M.W.:
466.93

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
76.13

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4574270

Name:
2-methyl-N-(3-phenylpropyl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]propShow More⌵

Mol. Formula:
C19H21F3N2O3S

M.W.:
414.45

5 activity values

3 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
76.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3765150

Name:
(E)-N-((2S)-3-cyclohexyl-1-((2R,6S,14aS,20S,23aS)-6-ethyl-2-methyl-5,8,14,1Show More⌵

Mol. Formula:
C40H62N6O8

M.W.:
754.97

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3765250

Name:
(E)-N-((2S)-1-((2R,6S,14aS,20S,23aS)-6-ethyl-2-methyl-5,8,14,19,23-pentaoxoShow More⌵

Mol. Formula:
C44H58N6O8

M.W.:
798.98

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3764199

Name:
(E)-N-((2S)-3-(benzo[b]thiophen-3-yl)-1-((2R,6S,14aS,20S,23aS)-6-ethyl-2-meShow More⌵

Mol. Formula:
C42H56N6O8S

M.W.:
805.01

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
174.53

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3763704

Name:
(E)-N-((2S)-1-((2R,6S,14aS,20S,23aS)-6-ethyl-2-methyl-5,8,14,19,23-pentaoxoShow More⌵

Mol. Formula:
C40H51F5N6O8

M.W.:
838.87

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA3765183

Name:
(E)-N-((2S)-3-(3,5-difluorophenyl)-1-((2R,6S,14aS,20S,23aS)-2-methyl-5,8,14Show More⌵

Mol. Formula:
C41H56F2N6O8

M.W.:
798.93

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3765706

Name:
NA

Mol. Formula:
C44H54F2N6O8

M.W.:
832.95

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3765030

Name:
(E)-N-((S)-3-(3,5-difluorophenyl)-1-((2R,6S,8aS,13aS,19S,22aS)-6-ethyl-2-meShow More⌵

Mol. Formula:
C39H52F2N6O8

M.W.:
770.87

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3763463

Name:
(E)-N-((S)-3-(3,5-difluorophenyl)-1-((2R,6S,9S,11aS,17S,20aS)-6-ethyl-2,9,1Show More⌵

Mol. Formula:
C38H52F2N6O8

M.W.:
758.86

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3763637

Name:
(E)-8-(((S)-3-(3,5-Difluorophenyl)-1-oxo-1-(((2R,6S,8aS,14aS,20S,21S,23aS)-Show More⌵

Mol. Formula:
C41H54F2N6O10

M.W.:
828.91

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
1.74

Polar Surface Area:
211.83

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3764878

Name:
(E)-4-Cyclopropyl-N-((S)-3-(3,5-difluorophenyl)-1-oxo-1-(((2R,6S,8aS,14aS,2Show More⌵

Mol. Formula:
C40H52F2N6O8

M.W.:
782.89

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3764968

Name:
(E)-4-Cyclohexyl-N-((S)-3-(3,5-difluorophenyl)-1-oxo-1-(((2R,6S,8aS,14aS,20Show More⌵

Mol. Formula:
C43H58F2N6O8

M.W.:
824.97

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3763937

Name:
(2E,4E)-N-((S)-3-(3,5-Difluorophenyl)-1-oxo-1-(((2R,6S,8aS,14aS,20S,21S,23aShow More⌵

Mol. Formula:
C41H54F2N6O8

M.W.:
796.91

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3765521

Name:
(E)-N-((S)-3-(3,5-Difluorophenyl)-1-(((2R,6S,8aS,14aS,20-S,23aS)-2,6-dimethShow More⌵

Mol. Formula:
C39H53F2N7O7

M.W.:
769.89

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
177.33

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3764389

Name:
(E)-N-((S)-3-(3,5-Difluorophenyl)-1-oxo-1-(((2R,6S,8aS,10-S,14aS,20S,23aS)-Show More⌵

Mol. Formula:
C40H54F2N6O8

M.W.:
784.90

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3764513

Name:
(E)-N-((S)-3-(3,5-Difluorophenyl)-1-oxo-1-(((2R,6S,8aS,14aS,20S,21S,23aS)-2Show More⌵

Mol. Formula:
C40H54F2N6O8

M.W.:
784.90

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3765153

Name:
(E)-N-((S)-3-(3,5-Difluorophenyl)-1-oxo-1-(((2R,6S,8aS,10S,14aS,20S,21S,23aShow More⌵

Mol. Formula:
C41H56F2N6O8

M.W.:
798.93

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3765324

Name:
(E)-N-((S)-3-(3,5-Difluorophenyl)-1-(((6S,8aS,14aS,20S,21S,23aS)-6,21-dimetShow More⌵

Mol. Formula:
C39H52F2N6O8

M.W.:
770.87

27 activity values

13 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3764991

Name:
(E)-N-((S)-3-(3,5-Difluorophenyl)-1-oxo-1-(((6S,8aS,10S,14aS,20S,21S,23aS)-Show More⌵

Mol. Formula:
C40H54F2N6O8

M.W.:
784.90

14 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
174.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS