Compounds

ALA5085634

Name:
2'-Deoxy-2',2'-difluoro-D-cytidine-5'-O-[phenyl(benzyloxy-L-alaninyl)]phospShow More⌵

Mol. Formula:
C25H27F2N4O8P

M.W.:
580.48

10 activity values

7 unique targets

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
164.23

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5079639

Name:
(2S)-benzyl 2-(((((2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4,4-difluoShow More⌵

Mol. Formula:
C25H27F2N4O8P

M.W.:
580.48

10 activity values

7 unique targets

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
164.23

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4211912

Name:
Germacrone-4,5-epoxide

Mol. Formula:
C15H22O2

M.W.:
234.34

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
29.60

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4099161

Name:
Methyl (1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8, 9Show More⌵

Mol. Formula:
C16H20O5

M.W.:
292.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
65.13

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4098312

Name:
4-(Trifluoromethyl)benzyl (1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxoShow More⌵

Mol. Formula:
C23H23F3O5

M.W.:
436.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
65.13

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4091140

Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-5-(piperidine-1-carbonyl)-2,3,6Show More⌵

Mol. Formula:
C20H27NO4

M.W.:
345.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4088726

Name:
4-((1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,Show More⌵

Mol. Formula:
C21H27F3N2O6

M.W.:
460.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.17

Polar Surface Area:
71.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4088010

Name:
(1aR,1a'R,4E,4'E,7aS,7a'S,10aS,10bS,10a'S,10b'S)-5,5'-(piperazine-1,4-dicarShow More⌵

Mol. Formula:
C34H42N2O8

M.W.:
606.72

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
118.28

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4087934

Name:
((1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a, 1Show More⌵

Mol. Formula:
C24H26O5

M.W.:
394.47

12 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
65.13

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4085298

Name:
(1aR,7aS,10aS,10bS,E)-5-(methoxymethyl)-1a-methyl-8-methylene-2,3,6,7,7a,8,Show More⌵

Mol. Formula:
C16H22O4

M.W.:
278.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
48.06

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4083359

Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-5-(4-phenylpiperidine-1-carbonyShow More⌵

Mol. Formula:
C26H31NO4

M.W.:
421.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4082766

Name:
(1aR,7aS,10aS,10bS,E)-5-(((4-methoxybenzyl)oxy)methyl)-1a-methyl-8-methylenShow More⌵

Mol. Formula:
C23H28O5

M.W.:
384.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
57.29

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4077243

Name:
(1aR,7aS,10aS,10bS,E)-N,N-diethyl-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7aShow More⌵

Mol. Formula:
C19H27NO4

M.W.:
333.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4077129

Name:
(1aR,7aS,10aS,10bS,E)-5-((Benzyloxy)methyl)-1a-methyl-8-methylene-2,3,6,7,7Show More⌵

Mol. Formula:
C22H26O4

M.W.:
354.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
48.06

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4075902

Name:
(1aR,7aS,10aS,10bS,E)-N,N-dibutyl-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7aShow More⌵

Mol. Formula:
C23H35NO4

M.W.:
389.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4073455

Name:
(1aR,7aS,10aS,10bS,E)-5-(benzo[d]thiazol-2-yl)-1a-methyl-8-methylene-2,3,6,Show More⌵

Mol. Formula:
C21H21NO3S

M.W.:
367.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
51.72

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4071266

Name:
(1aR,7aS,10aS,10bS,E)-N,N,1a-trimethyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,Show More⌵

Mol. Formula:
C17H23NO4

M.W.:
305.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4070198

Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-5-(4-methylpiperidine-1-carbonyShow More⌵

Mol. Formula:
C21H29NO4

M.W.:
359.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4068616

Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-5-(((4-(trifluoromethyl)benzyl)Show More⌵

Mol. Formula:
C23H25F3O4

M.W.:
422.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
48.06

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4067122

Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-9-oxo-N,N-dipropyl-1a,2,3,6,7,7Show More⌵

Mol. Formula:
C21H31NO4

M.W.:
361.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
59.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS