Compounds

ALA5277245

Name:
1-(2-Bromoethyl)-5-nitro-3-phenoxy-1H-indazole

Mol. Formula:
C15H12BrN3O3

M.W.:
362.18

Type:
---

AlogP:
4.13

Polar Surface Area:
70.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5187785

Name:
N,N'-(1,2-phenylene)bis(2-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)acetamide)

Mol. Formula:
C24H30N8O2

M.W.:
462.56

7 activity values

2 unique targets

Type:
---

AlogP:
3.46

Polar Surface Area:
119.62

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5187749

Name:
N,N'-(1,2-phenylene)bis(2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)acetamide)

Mol. Formula:
C20H22N8O2

M.W.:
406.45

7 activity values

2 unique targets

Type:
---

AlogP:
1.90

Polar Surface Area:
119.62

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5183085

Name:
diethyl 1,1'-((1,2-phenylenebis(azanediyl))bis(2-oxoethane-2,1-diyl))bis(1HShow More⌵

Mol. Formula:
C20H22N8O6

M.W.:
470.45

7 activity values

2 unique targets

Type:
---

AlogP:
0.50

Polar Surface Area:
172.22

HBA:
12

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5182252

Name:
N,N'-(1,2-phenylene)bis(2-(4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl)acetaShow More⌵

Mol. Formula:
C28H38N8O2

M.W.:
518.67

7 activity values

2 unique targets

Type:
---

AlogP:
4.39

Polar Surface Area:
119.62

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5179841

Name:
N,N'-(1,2-phenylene)bis(2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetamide)

Mol. Formula:
C26H22N8O2

M.W.:
478.52

7 activity values

2 unique targets

Type:
---

AlogP:
3.48

Polar Surface Area:
119.62

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5172183

Name:
N,N'-(1,2-phenylene)bis(2-(4-(pentan-2-yl)-1H-1,2,3-triazol-1-yl)acetamide)

Mol. Formula:
C24H34N8O2

M.W.:
466.59

7 activity values

2 unique targets

Type:
---

AlogP:
3.95

Polar Surface Area:
119.62

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4240669

Name:
methyl 6-methyl-4-((2-(4methylpiperazin-1-yl)phenyl)amino)-2-oxocyclohex-3-Show More⌵

Mol. Formula:
C20H27N3O3

M.W.:
357.45

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
61.88

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA301408

Name:
9-hydroxy-4a-(1-hydroxy-1-methylethyl)-9a-methyl-5b-methylcarbonyloxy-10-oxShow More⌵

Mol. Formula:
C45H45NO12Se

M.W.:
870.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA60655

Name:
1,8-dihydroxy-14-(1-hydroxy-2-phenyl-2-phenylcarboxamidoethylcarbonyloxy)-9Show More⌵

Mol. Formula:
C46H49NO14

M.W.:
839.89

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
221.29

HBA:
14

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA41015

Name:
Taxol analogue

Mol. Formula:
C45H49NO14

M.W.:
827.88

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
221.29

HBA:
14

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA405036

Name:
Taxol analogue

Mol. Formula:
C40H53NO14

M.W.:
771.86

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
221.29

HBA:
14

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.10

DETAILS