Compounds

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
110.13

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4584975

Name:
Cochlioquinone N

Mol. Formula:
C30H45NO8

M.W.:
547.69

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
145.38

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4562387

Name:
Cochlioquinone L

Mol. Formula:
C29H40O8

M.W.:
516.63

Type:
Unknown

AlogP:
3.35

Polar Surface Area:
119.36

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4557352

Name:
Isocochlioquinone F

Mol. Formula:
C30H44O8

M.W.:
532.67

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
122.52

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4527860

Name:
Bipolahydroquinone B

Mol. Formula:
C28H38O7

M.W.:
486.61

Type:
Unknown

AlogP:
5.29

Polar Surface Area:
109.36

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4525526

Name:
Cochlioquinone M

Mol. Formula:
C30H40O7

M.W.:
512.64

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
99.13

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4471972

Name:
Isocochlioquinone G

Mol. Formula:
C28H40O7

M.W.:
488.62

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
113.29

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4457625

Name:
Bipolahydroquinone A

Mol. Formula:
C28H42O7

M.W.:
490.64

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
116.45

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4448733

Name:
Bipolahydroquinone C

Mol. Formula:
C28H40O7

M.W.:
488.62

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
116.45

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4443329

Name:
Cochlioquinone K

Mol. Formula:
C29H42O8

M.W.:
518.65

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
119.36

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4440162

Name:
Cochlioquinone J

Mol. Formula:
C29H42O7

M.W.:
502.65

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
99.13

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3754542

Name:
4-(benzo[b]thiophen-3-yl)-5-(3,4-dimethoxyphenyl)-2H-1,2,3-triazole

Mol. Formula:
C18H15N3O2S

M.W.:
337.40

60 activity values

28 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
60.03

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3621364

Name:
2-[5-Amino-3-(4-chlorophenyl)pyrazol-1-yl]-3-benzylquinoxaline

Mol. Formula:
C24H18ClN5

M.W.:
411.90

26 activity values

15 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
69.62

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3357974

Name:
(E)-N-(6-morpholinobenzo[d]thiazol-2-yl)-2-(4-(2,4-dichlorobenzyloxy)-2-hydShow More⌵

Mol. Formula:
C26H23Cl2N5O4S

M.W.:
572.47

Type:
Small molecule

AlogP:
5.88

Polar Surface Area:
108.31

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3357973

Name:
(E)-N-(6-morpholinobenzo[d]thiazol-2-yl)-2-(4-(3-chlorobenzyloxy)-2-hydroxyShow More⌵

Mol. Formula:
C26H24ClN5O4S

M.W.:
538.03

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
108.31

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3357972

Name:
(E)-N-(6-morpholinobenzo[d]thiazol-2-yl)-2-(4-(4-chlorobenzyloxy)-2-hydroxyShow More⌵

Mol. Formula:
C26H24ClN5O4S

M.W.:
538.03

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
108.31

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3357971

Name:
(E)-N-(6-morpholinobenzo[d]thiazol-2-yl)-2-(4-(4-tertbutylbenzyloxy)-2-hydrShow More⌵

Mol. Formula:
C30H33N5O4S

M.W.:
559.69

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
108.31

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3357970

Name:
(E)-N-(6-morpholinobenzo[d]thiazol-2-yl)-2-(2-hydroxy-4-(4-methylbenzyloxy)Show More⌵

Mol. Formula:
C27H27N5O4S

M.W.:
517.61

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
108.31

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3338705

Name:
{(4-[5-(5-methylthiophen-2-yl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-phShow More⌵

Mol. Formula:
C26H24N4O3S3

M.W.:
536.70

63 activity values

38 unique targets

Type:
Small molecule

AlogP:
6.29

Polar Surface Area:
90.87

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3330163

Name:
(E)-N-(6-morpholinobenzo[d]thiazol-2-yl)-2-(4-((2-(benzo[d][1,3]dioxol-5-ylShow More⌵

Mol. Formula:
C31H28N6O6S2

M.W.:
644.74