Compounds

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
46.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2430442

Name:
1-(4-(4-(4-bromophenyl)-1H-1,2,3-triazol-1-yl)butyl)-4-(2-methoxyphenyl)pipShow More⌵

Mol. Formula:
C23H28BrN5O

M.W.:
470.42

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
46.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2430441

Name:
1-(2-methoxyphenyl)-4-(4-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)butyl)pShow More⌵

Mol. Formula:
C24H31N5O2

M.W.:
421.55

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
55.65

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2430439

Name:
1-(2-methoxyphenyl)-4-(4-(4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl)butyl)pipeShow More⌵

Mol. Formula:
C22H28N6O

M.W.:
392.51

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
59.31

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2430438

Name:
5-(4-(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-1,2,3-triazol-4-yl)Show More⌵

Mol. Formula:
C26H30N6O2

M.W.:
458.57

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
72.45

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2420778

Name:
4-(4-(thiophen-2-ylmethyl)piperazin-1-yl)phenol

Mol. Formula:
C15H18N2OS

M.W.:
274.39

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
26.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA2420777

Name:
1-(3,4-dichlorophenyl)-4-(thiophen-2-ylmethyl)piperazine

Mol. Formula:
C15H16Cl2N2S

M.W.:
327.28

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2420776

Name:
1-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine

Mol. Formula:
C15H17ClN2S

M.W.:
292.84

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2420775

Name:
1-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine

Mol. Formula:
C15H17FN2S

M.W.:
276.38

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2420774

Name:
2-(4-(thiophen-2-ylmethyl)piperazin-1-yl)phenol

Mol. Formula:
C15H18N2OS

M.W.:
274.39

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
26.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA2420773

Name:
1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine

Mol. Formula:
C17H22N2OS

M.W.:
302.44

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
15.71

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2420772

Name:
1-(2,3-dichlorophenyl)-4-(thiophen-2-ylmethyl)piperazine

Mol. Formula:
C15H16Cl2N2S

M.W.:
327.28

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2420771

Name:
1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine

Mol. Formula:
C15H17ClN2S

M.W.:
292.84

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2420770

Name:
1-(2-fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine

Mol. Formula:
C15H17FN2S

M.W.:
276.38

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2420769

Name:
1-phenyl-4-(thiophen-2-ylmethyl)piperazine

Mol. Formula:
C15H18N2S

M.W.:
258.39