Compounds

ALA5272179

Name:
N-(4-(chlorodifluoromethoxy)phenyl)-6-(4-(6-((2-(2,6-dioxopiperidin-3-yl)-1Show More⌵

Mol. Formula:
C39H41ClF2N8O5S

M.W.:
807.32

Type:
---

AlogP:
6.13

Polar Surface Area:
152.86

HBA:
10

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5272103

Name:
[(2R,3R,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzShow More⌵

Mol. Formula:
C27H24O18

M.W.:
636.47

Type:
---

AlogP:
-0.28

Polar Surface Area:
310.66

HBA:
18

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5272045

Name:
(S)-1-((11bS,12S,14aR)-13-methoxy-2,3,5,6,11b,12-hexahydro-1H-[1,3]dioxolo[Show More⌵

Mol. Formula:
C30H33NO8

M.W.:
535.59

Type:
---

AlogP:
3.47

Polar Surface Area:
103.76

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5272036

Name:
N-(4-(chlorodifluoromethoxy)phenyl)-6-(4-(4-((2-(2,6-dioxopiperidin-3-yl)-1Show More⌵

Mol. Formula:
C37H35ClF2N8O7

M.W.:
777.19

Type:
---

AlogP:
4.16

Polar Surface Area:
179.16

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5271887

Name:
(1R,2S,3R)-7'-chloro-1-((S)-7-chloro-1-ethyl-2-oxo-3-(pyrrolidin-1-ylmethylShow More⌵

Mol. Formula:
C33H33Cl2N3O3

M.W.:
590.55

Type:
---

AlogP:
5.83

Polar Surface Area:
64.09

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5271867

Name:
4-((4-butylpiperazin-1-yl)methyl)-N-(4-methyl-3-(4-methyl-1H-imidazol-1-yl)Show More⌵

Mol. Formula:
C27H35N5O

M.W.:
445.61

Type:
---

AlogP:
4.66

Polar Surface Area:
53.40

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5271517

Name:
4-((2,6-dimethylmorpholino)methyl)-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifShow More⌵

Mol. Formula:
C25H27F3N4O2

M.W.:
472.51

Type:
---

AlogP:
5.06

Polar Surface Area:
59.39

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5271475

Name:
(6R,10aS)-6-(3,5-Bis(trifluoromethyl)phenyl)-2,3,6,10,10a,11-hexahydro-8H-[Show More⌵

Mol. Formula:
C21H15F6NO4

M.W.:
459.34

Type:
---

AlogP:
4.96

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5271208

Name:
(6R,10aS)-6-(3,4-Dimethoxy-5-nitrophenyl)-2,3,10a,11-tetrahydro-[1,4]dioxinShow More⌵

Mol. Formula:
C21H19N3O8

M.W.:
441.40

Type:
---

AlogP:
1.95

Polar Surface Area:
129.47

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5271169

Name:
1-((1S,3aR,14bS)-2-methoxy-1,5,6,8,9,14b-hexahydro-4H-[1,3]dioxolo[4',5':4,Show More⌵

Mol. Formula:
C30H33NO7

M.W.:
519.59

Type:
---

AlogP:
3.77

Polar Surface Area:
83.53

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5271138

Name:
N-(3-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-4-((4-butylpiperazin-1-yShow More⌵

Mol. Formula:
C26H30F3N5O

M.W.:
485.55

Type:
---

AlogP:
5.06

Polar Surface Area:
53.40

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5270945

Name:
(S)-1-((11bS,12S,14aR)-13-methoxy-2,3,5,6,11b,12-hexahydro-1H-[1,3]dioxolo[Show More⌵

Mol. Formula:
C32H35NO9

M.W.:
577.63

Type:
---

AlogP:
3.69

Polar Surface Area:
109.83

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5270562

Name:
(S)-1-((11bS,12S,14aR)-13-methoxy-2,3,5,6,11b,12-hexahydro-1H-[1,3]dioxolo[Show More⌵

Mol. Formula:
C30H34N2O7

M.W.:
534.61

Type:
---

AlogP:
3.35

Polar Surface Area:
109.55

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5270512

Name:
(S)-1-((11bS,12S,14aR)-13-methoxy-2,3,5,6,11b,12-hexahydro-1H-[1,3]dioxolo[Show More⌵

Mol. Formula:
C30H33NO8

M.W.:
535.59

Type:
---

AlogP:
3.47

Polar Surface Area:
103.76

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5270408

Name:
(6R,10aS)-6-(3,5-Dichloro-4-methoxyphenyl)-2,3,10a,11-tetrahydro-[1,4]dioxiShow More⌵

Mol. Formula:
C20H16Cl2N2O5

M.W.:
435.26

Type:
---

AlogP:
3.34

Polar Surface Area:
77.10

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5270402

Name:
[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(3,4,5-trihydroxyShow More⌵

Mol. Formula:
C21H22O14

M.W.:
498.39

Type:
---

AlogP:
-0.60

Polar Surface Area:
232.90

HBA:
14

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5270333

Name:
(2E)-1-{4'-fluoro-4,6-dimethoxy-[1,1'-biphenyl]-3-yl}-3-phenylprop-2-en-1-oShow More⌵

Mol. Formula:
C23H19FO3

M.W.:
362.40

Type:
---

AlogP:
5.41

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5270308

Name:
Euplexide B

Mol. Formula:
C36H50O12

M.W.:
674.78

Type:
---

AlogP:
5.10

Polar Surface Area:
164.12

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5270169

Name:
N-(3-chlorophenyl)-N-(m-tolyl)thiazolo[5,4-b]quinolin-9-amine

Mol. Formula:
C23H16ClN3S

M.W.:
401.92

Type:
---

AlogP:
7.28

Polar Surface Area:
29.02

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5270113

Name:
5,3'-Dihydroxy-3,4-dimethoxybibenzyl

Mol. Formula:
C16H18O4

M.W.:
274.32

Type:
---

AlogP:
2.90

Polar Surface Area:
58.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS