Compounds

Type:
Small molecule

AlogP:
8.73

Polar Surface Area:
120.53

HBA:
15

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
28

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA1803054

Name:
1-({3-Methoxy-4-[3-(1-{8-[4-(3-{2-methoxy-4-[(4-methylpiperazin-1-yl)methylShow More⌵

Mol. Formula:
C50H72N10O5

M.W.:
893.19

Type:
Small molecule

AlogP:
7.03

Polar Surface Area:
120.53

HBA:
15

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA1803053

Name:
1-(3-methoxy-4-(3-(1-(8-(4-propyl-1H-1,2,3-triazol-1-yl)octyl)-1H-1,2,3-triShow More⌵

Mol. Formula:
C37H54N8O3

M.W.:
658.89

Type:
Small molecule

AlogP:
6.21

Polar Surface Area:
95.59

HBA:
11

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA1803052

Name:
1-[(4-{3-[1-(2-Ethoxyethyl)-1H-1,2,3-triazole-4-yl]propoxy}-3-methoxyphenylShow More⌵

Mol. Formula:
C28H39N5O4

M.W.:
509.65

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
74.11

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1803051

Name:
1-[(4-{[1-(2-Ethoxyethyl)-1H-1,2,3-triazole-4-yl]methoxy}-3-methoxyphenyl)mShow More⌵

Mol. Formula:
C26H35N5O4

M.W.:
481.60

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
74.11

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1803050

Name:
1-({4-[4-(1-Butyl-1H-1,2,3-triazole-4-yl)butoxy]-3-methoxyphenyl}-4-(2-methShow More⌵

Mol. Formula:
C29H41N5O3

M.W.:
507.68

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
64.88

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1803049

Name:
1-({4-[3-(1-Butyl-1H-1,2,3-triazole-4-yl)propoxy]-3-methoxyphenyl}-4-(2-metShow More⌵

Mol. Formula:
C28H39N5O3

M.W.:
493.65

16 activity values

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
64.88

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1803030

Name:
1-({4-[1-[1-Butyl-1H-1,2,3-triazole-4-yl)methoxy]-3-methoxyphenyl}methyl)-4Show More⌵

Mol. Formula:
C26H35N5O3

M.W.:
465.60

6 activity values

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
64.88

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1803029

Name:
4,4'-(4,4'-(3,3'-(1,1'-(2,2'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))bis(ethaShow More⌵

Mol. Formula:
C56H76N10O9

M.W.:
1033.28

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1803028

Name:
1,2-bis(2-(4-(3-(2-methoxy-4-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)pheShow More⌵

Mol. Formula:
C54H72N10O8

M.W.:
989.23

Type:
Small molecule

AlogP:
6.31

Polar Surface Area:
148.22

HBA:
18

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA1803027

Name:
1,2-bis(2-(4-((2-methoxy-4-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)phenoShow More⌵

Mol. Formula:
C50H64N10O8

M.W.:
933.12

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
148.22

HBA:
18

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA1803026

Name:
1,10-bis(4-(4-(2-methoxy-4-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)phenoShow More⌵

Mol. Formula:
C60H84N10O6

M.W.:
1041.40

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1803025

Name:
1,10-bis(4-(3-(2-methoxy-4-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)phenoShow More⌵

Mol. Formula:
C58H80N10O6

M.W.:
1013.34

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1803024

Name:
1,8-bis(4-(3-(2-methoxy-4-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)phenoxShow More⌵

Mol. Formula:
C56H76N10O6

M.W.:
985.29

16 activity values

Type:
Small molecule

AlogP:
8.61

Polar Surface Area:
129.76

HBA:
16

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA1803023

Name:
1,8-bis(4-((2-methoxy-4-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)phenoxy)Show More⌵

Mol. Formula:
C52H68N10O6

M.W.:
929.18

6 activity values

Type:
Small molecule

AlogP:
7.75

Polar Surface Area:
129.76

HBA:
16

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA1771114

Name:
3,4-Dihydro-6-ethynyl-2-[4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl]isoquinShow More⌵

Mol. Formula:
C26H31N3O2

M.W.:
417.55

12 activity values

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
36.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1771113

Name:
2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-1-oxo-1,2,3,4-tetrahydroisoqShow More⌵

Mol. Formula:
C25H30N4O2

M.W.:
418.54

12 activity values

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
59.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1771112

Name:
3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl]-6-(4-pyridyl)isoShow More⌵

Mol. Formula:
C29H34N4O2

M.W.:
470.62

13 activity values

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
48.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1771111

Name:
2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-2,3,4,5-tetrahydro-7-(2-thieShow More⌵

Mol. Formula:
C29H35N3O2S

M.W.:
489.69

12 activity values

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
36.02

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1771110

Name:
3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl]-6-(2-thienyl)isoShow More⌵

Mol. Formula:
C28H33N3O2S

M.W.:
475.66

14 activity values