Compounds

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
35.26

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4788634

Name:
4-(4-methoxyphenyl)-5-phenylisoxazole

Mol. Formula:
C16H13NO2

M.W.:
251.28

4 activity values

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
35.26

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4783160

Name:
5-(4-methoxyphenyl)-4-phenylisoxazole

Mol. Formula:
C16H13NO2

M.W.:
251.28

4 activity values

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
35.26

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4782817

Name:
2-[1-[2,2-bis(diethoxyphosphoryl)ethyl]-6-fluoro-indol-3-yl]-2-oxo-acetic aShow More⌵

Mol. Formula:
C20H28FNO9P2

M.W.:
507.39

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
130.36

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4780399

Name:
2-[1-[2,2-bis(diethoxyphosphoryl)ethyl]-6-fluoro-indol-3-yl]-N-(2,3-dihydroShow More⌵

Mol. Formula:
C28H35FN2O10P2

M.W.:
640.54

9 activity values

Type:
Unknown

AlogP:
6.23

Polar Surface Area:
140.62

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4761939

Name:
2-[1-[2,2-bis(diethoxyphosphoryl)ethyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxShow More⌵

Mol. Formula:
C27H36N2O9P2

M.W.:
594.54

9 activity values

Type:
Unknown

AlogP:
6.33

Polar Surface Area:
131.39

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4753750

Name:
[2-[3-[2-(4-methoxyanilino)-2-oxo-acetyl]indol-1-yl]-1-phosphono-ethyl]phosShow More⌵

Mol. Formula:
C19H20N2O9P2

M.W.:
482.32

12 activity values

10 unique targets

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
175.39

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4747118

Name:
2-[1-[2,2-bis(diethoxyphosphoryl)ethyl]-6-fluoro-indol-3-yl]-N-(4-methoxyphShow More⌵

Mol. Formula:
C27H35FN2O9P2

M.W.:
612.53

Type:
Unknown

AlogP:
6.47

Polar Surface Area:
131.39

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4742031

Name:
2-[1-[2,2-bis(diethoxyphosphoryl)ethyl]-6-fluoro-indol-3-yl]-N-(3-methoxyphShow More⌵

Mol. Formula:
C27H35FN2O9P2

M.W.:
612.53

Type:
Unknown

AlogP:
6.47

Polar Surface Area:
131.39

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4741241

Name:
2-[1-[2,2-bis(diethoxyphosphoryl)ethyl]indol-3-yl]-N-(2,3-dihydro-1,4-benzoShow More⌵

Mol. Formula:
C28H36N2O10P2

M.W.:
622.55

Type:
Unknown

AlogP:
6.09

Polar Surface Area:
140.62

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4588014

Name:
4,9-Dimethoxy-5-(4-methoxyphenyl)naphtho[2,3-d][1,3]dioxole

Mol. Formula:
C20H18O5

M.W.:
338.36

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
46.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4557866

Name:
4,5-Dimethoxy-9-(4-methoxyphenyl)naphtho[1,2-d][1,3]dioxole

Mol. Formula:
C20H18O5

M.W.:
338.36

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
46.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4542972

Name:
4-(1,3-Benzodioxol-5-yl)-3-hydroxy-1-(4-methoxyphenyl)-1-butanone

Mol. Formula:
C18H18O5

M.W.:
314.34

Type:
Unknown

AlogP:
2.60

Polar Surface Area:
64.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4542391

Name:
5-(4-Methoxyphenyl)naphtho[2,3-d][1,3]dioxole

Mol. Formula:
C18H14O3

M.W.:
278.31

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
27.69

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4542378

Name:
3-Hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-1-butanone

Mol. Formula:
C19H20O6

M.W.:
344.36

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
74.22

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4542186

Name:
5-(3,4,5-Trimethoxyphenyl)naphtho[2,3-d][1,3]dioxole

Mol. Formula:
C20H18O5

M.W.:
338.36

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
46.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4536696

Name:
1,2,3,4-Tetramethoxy-5-(4-methoxyphenyl)naphthalene

Mol. Formula:
C21H22O5

M.W.:
354.40

Type:
Unknown

AlogP:
4.55

Polar Surface Area:
46.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4531844

Name:
4,9-Dimethoxy-8-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxShow More⌵

Mol. Formula:
C20H22O6

M.W.:
358.39

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
66.38

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4523022

Name:
4-Amino-1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-2-butanoShow More⌵

Mol. Formula:
C20H25NO6

M.W.:
375.42

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
92.40

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4522612

Name:
4-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-1,3-butanediol

Mol. Formula:
C20H24O7

M.W.:
376.41