Compounds

Type:
---

AlogP:
1.64

Polar Surface Area:
118.22

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5195085

Name:
Altertoxin IV

Mol. Formula:
C20H14O6

M.W.:
350.33

5 activity values

Type:
---

AlogP:
2.06

Polar Surface Area:
118.22

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5194221

Name:
Altertoxin VIII

Mol. Formula:
C20H13ClO5

M.W.:
368.77

Type:
---

AlogP:
3.30

Polar Surface Area:
97.99

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5191907

Name:
Altertromin D

Mol. Formula:
C23H21ClO9S

M.W.:
508.93

Type:
---

AlogP:
1.20

Polar Surface Area:
175.75

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5185061

Name:
Altertromin B

Mol. Formula:
C20H13ClO5

M.W.:
368.77

Type:
---

AlogP:
3.30

Polar Surface Area:
97.99

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5171990

Name:
Altertromin A

Mol. Formula:
C21H16O6

M.W.:
364.35

Type:
---

AlogP:
2.71

Polar Surface Area:
107.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4590898

Name:
6-chloro-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrido[3,4-Show More⌵

Mol. Formula:
C26H24ClN3O3

M.W.:
461.95

2 activity values

Type:
Unknown

AlogP:
6.02

Polar Surface Area:
66.59

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4582996

Name:
6-chloro-N,1-bis(4-methoxyphenyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-Show More⌵

Mol. Formula:
C26H24ClN3O3

M.W.:
461.95

Type:
Unknown

AlogP:
6.02

Polar Surface Area:
66.59

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4582890

Name:
(6-chloro-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(4Show More⌵

Mol. Formula:
C26H23ClN2O3

M.W.:
446.93

Type:
Unknown

AlogP:
5.63

Polar Surface Area:
54.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4582384

Name:
(6-chloro-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(3Show More⌵

Mol. Formula:
C30H30ClN3O3

M.W.:
516.04

Type:
Unknown

AlogP:
5.45

Polar Surface Area:
57.80

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4571580

Name:
(6-chloro-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2Show More⌵

Mol. Formula:
C26H20ClF3N2O2

M.W.:
484.91

Type:
Unknown

AlogP:
6.64

Polar Surface Area:
45.33

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4562097

Name:
(6-chloro-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(4Show More⌵

Mol. Formula:
C26H20ClF3N2O2

M.W.:
484.91

Type:
Unknown

AlogP:
6.64

Polar Surface Area:
45.33

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4559185

Name:
6-chloro-1-(4-methoxyphenyl)-2-(2-methoxyphenylsulfonyl)-2,3,4,9-tetrahydroShow More⌵

Mol. Formula:
C25H23ClN2O4S

M.W.:
482.99

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
71.63

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4553124

Name:
methyl 3-(6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]iShow More⌵

Mol. Formula:
C27H24ClN3O4

M.W.:
489.96

Type:
Unknown

AlogP:
5.80

Polar Surface Area:
83.66

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4552312

Name:
6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-beta-carboline

Mol. Formula:
C18H17ClN2O

M.W.:
312.80

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
37.05

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4540234

Name:
(6-chloro-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2Show More⌵

Mol. Formula:
C26H23ClN2O3

M.W.:
446.93

Type:
Unknown

AlogP:
5.63

Polar Surface Area:
54.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4522589

Name:
methyl 3-(6-methoxy-1-p-tolyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-cShow More⌵

Mol. Formula:
C26H25N3O4S

M.W.:
475.57

Type:
Unknown

AlogP:
5.51

Polar Surface Area:
83.66

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4514873

Name:
6-chloro-N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrido[Show More⌵

Mol. Formula:
C27H26ClN3O4

M.W.:
491.98

Type:
Unknown

AlogP:
6.03

Polar Surface Area:
75.82

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4473996

Name:
ethyl 2-(6-methoxy-1-p-tolyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-caShow More⌵

Mol. Formula:
C29H29N3O4

M.W.:
483.57

Type:
Unknown

AlogP:
5.84

Polar Surface Area:
83.66

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4473506

Name:
methyl 2-(6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]iShow More⌵

Mol. Formula:
C27H24ClN3O4

M.W.:
489.96