Compounds

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
39.94

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2269561

Name:
rac-1-(3-(4-(4-(benzyloxy)benzyloxy)benzyloxy)-2-(2,4-dichlorophenyl)propylShow More⌵

Mol. Formula:
C32H29Cl2N3O3

M.W.:
574.51

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
7.74

Polar Surface Area:
58.40

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA2269560

Name:
rac-1-(3-(4-(3-(benzyloxy)benzyloxy)benzyloxy)-2-(2,4-dichlorophenyl)propylShow More⌵

Mol. Formula:
C32H29Cl2N3O3

M.W.:
574.51

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
7.74

Polar Surface Area:
58.40

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA2269559

Name:
rac-1-(3-(4-(benzyloxy)benzyloxy)-2-(2,4-dichlorophenyl)propyl)-1H-1,2,4-trShow More⌵

Mol. Formula:
C25H23Cl2N3O2

M.W.:
468.38

Type:
Small molecule

AlogP:
6.16

Polar Surface Area:
49.17

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2269558

Name:
rac-1-(2-(2,4-dichlorophenyl)-3-(3-phenoxybenzyloxy)propyl)-1H-1,2,4-triazoShow More⌵

Mol. Formula:
C24H21Cl2N3O2

M.W.:
454.36

Type:
Small molecule

AlogP:
6.38

Polar Surface Area:
49.17

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2269557

Name:
rac-1-(3-(biphenyl-4-ylmethoxy)-2-(2,4-dichlorophenyl)propyl)-1H-1,2,4-triaShow More⌵

Mol. Formula:
C24H21Cl2N3O

M.W.:
438.36

Type:
Small molecule

AlogP:
6.25

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2269556

Name:
rac-1-(2-(2,4-dichlorophenyl)-3-(naphthalen-2-ylmethoxy)propyl)-1H-1,2,4-trShow More⌵

Mol. Formula:
C22H19Cl2N3O

M.W.:
412.32

Type:
Small molecule

AlogP:
5.74

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2269555

Name:
rac-1-(3-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)propyl)-1H-1,2,4-triShow More⌵

Mol. Formula:
C18H15Cl4N3O

M.W.:
431.15

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2269554

Name:
rac-1-(3-(4-tert-butylbenzyloxy)-2-(2,4-dichlorophenyl)propyl)-1H-1,2,4-triShow More⌵

Mol. Formula:
C22H25Cl2N3O

M.W.:
418.37

Type:
Small molecule

AlogP:
5.88

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2269553

Name:
rac-1-(2-(2,4-dichlorophenyl)-3-(4-methoxybenzyloxy)propyl)-1H-1,2,4-triazoShow More⌵

Mol. Formula:
C19H19Cl2N3O2

M.W.:
392.29

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
49.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2269552

Name:
rac-1-(2-(2,4-dichlorophenyl)-3-(4-nitrobenzyloxy)propyl)-1H-1,2,4-triazole

Mol. Formula:
C18H16Cl2N4O3

M.W.:
407.26

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
83.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2269551

Name:
(-)-(S)-1-(3-(benzyloxy)-2-(2,4-dichlorophenyl)propyl)-1H-1,2,4-triazole

Mol. Formula:
C18H17Cl2N3O

M.W.:
362.26

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2269550

Name:
(+)-(R)-1-(3-(benzyloxy)-2-(2,4-dichlorophenyl)propyl)-1H-1,2,4-triazole

Mol. Formula:
C18H17Cl2N3O

M.W.:
362.26

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2269549

Name:
rac-1-(3-(benzyloxy)-2-(2,4-dichlorophenyl)propyl)-1H-1,2,4-triazole

Mol. Formula:
C18H17Cl2N3O

M.W.:
362.26