Compounds

Type:
Unknown

AlogP:
2.76

Polar Surface Area:
80.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4589115

Name:
6-(2-Hydroxy-3-(4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl)propoxy)-7-metShow More⌵

Mol. Formula:
C23H32N2O7

M.W.:
448.52

32 activity values

6 unique targets

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
97.77

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4577745

Name:
6-(2-Hydroxy-3-(4-(2-methoxyphenyl)piperazin-1-yl)propoxy)-7-methoxy-3-methShow More⌵

Mol. Formula:
C25H32N2O6

M.W.:
456.54

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
80.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4573703

Name:
8-(2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy)-7-methoxy-3-methylisochromaShow More⌵

Mol. Formula:
C24H30N2O5

M.W.:
426.51

Type:
Unknown

AlogP:
2.36

Polar Surface Area:
71.47

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4553421

Name:
7-(3-(4-(2-Chlorophenyl)piperazin-1-yl)-2-hydroxypropoxy)-6-methoxy-3-methyShow More⌵

Mol. Formula:
C24H29ClN2O5

M.W.:
460.96

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
71.47

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4540946

Name:
6-(3-(4-(Furan-2-carbonyl)piperazin-1-yl)-2-hydroxypropoxy)-7-methoxy-3-metShow More⌵

Mol. Formula:
C23H28N2O7

M.W.:
444.48

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
101.68

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4540349

Name:
7-(2-Hydroxy-3-(4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl)propoxy)-6-metShow More⌵

Mol. Formula:
C23H32N2O7

M.W.:
448.52

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
97.77

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4539815

Name:
7-(2-Hydroxy-3-(4-(2-methoxyphenyl)piperazin-1-yl)propoxy)-6-methoxy-3-methShow More⌵

Mol. Formula:
C25H32N2O6

M.W.:
456.54

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
80.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4533900

Name:
8-(2-Hydroxy-3-(4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl)propoxy)-7-metShow More⌵

Mol. Formula:
C23H32N2O7

M.W.:
448.52

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
97.77

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4521650

Name:
7-(3-(4-(2-Ethoxyphenyl)piperazin-1-yl)-2-hydroxypropoxy)-6-methoxy-3-methyShow More⌵

Mol. Formula:
C26H34N2O6

M.W.:
470.57

Type:
Unknown

AlogP:
2.76

Polar Surface Area:
80.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4476104

Name:
8-(3-(4-(Furan-2-carbonyl)piperazin-1-yl)-2-hydroxypropoxy)-7-methoxy-3-metShow More⌵

Mol. Formula:
C23H28N2O7

M.W.:
444.48

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
101.68

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4468941

Name:
7-(3-(4-(Furan-2-carbonyl)piperazin-1-yl)-2-hydroxypropoxy)-6-methoxy-3-metShow More⌵

Mol. Formula:
C23H28N2O7

M.W.:
444.48

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
101.68

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4468935

Name:
8-(2-Hydroxy-3-(4-(2-methoxyphenyl)piperazin-1-yl)propoxy)-7-methoxy-3-methShow More⌵

Mol. Formula:
C25H32N2O6

M.W.:
456.54

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
80.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4464599

Name:
6-(3-(4-(2-Chlorophenyl)piperazin-1-yl)-2-hydroxypropoxy)-7-methoxy-3-methyShow More⌵

Mol. Formula:
C24H29ClN2O5

M.W.:
460.96

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
71.47

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4457221

Name:
8-(3-(4-(2-Ethoxyphenyl)piperazin-1-yl)-2-hydroxypropoxy)-7-methoxy-3-methyShow More⌵

Mol. Formula:
C26H34N2O6

M.W.:
470.57

Type:
Unknown

AlogP:
2.76

Polar Surface Area:
80.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4455376

Name:
7-(2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy)-6-methoxy-3-methylisochromaShow More⌵

Mol. Formula:
C24H30N2O5

M.W.:
426.51

Type:
Unknown

AlogP:
2.36

Polar Surface Area:
71.47

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4438882

Name:
8-(3-(4-(2-Chlorophenyl)piperazin-1-yl)-2-hydroxypropoxy)-7-methoxy-3-methyShow More⌵

Mol. Formula:
C24H29ClN2O5

M.W.:
460.96

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
71.47

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4436407

Name:
6-(2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy)-7-methoxy-3-methylisochromaShow More⌵

Mol. Formula:
C24H30N2O5

M.W.:
426.51

Type:
Unknown

AlogP:
2.36

Polar Surface Area:
71.47

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4218183

Name:
(S)-5-Methyl-3-((2S,8S,13S)-2,8,13-triazido-13-((2R,5R)-5-((S)-1-azidotrideShow More⌵

Mol. Formula:
C35H60N12O3

M.W.:
696.95

1 activity values

Type:
Small molecule

AlogP:
12.33

Polar Surface Area:
230.57

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
30

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4206453

Name:
(S)-5-Methyl-3-((2R,8R,13R)-2,8,13-triazido-13-((2R,5R)-5-((R)-1-azidotrideShow More⌵

Mol. Formula:
C35H60N12O3

M.W.:
696.95

1 activity values