Compounds

ALA4761926

Name:
(22R,25S)-3beta-Acetoxy-5-en-25-(2'[5'-(naphthalen
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Mol. Formula:
C40H50N2O4

M.W.:
622.85

1 activity values

1 unique targets

Type:
Unknown

AlogP:
9.30

Polar Surface Area:
74.45

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4756047

Name:
(22R,25R)-3beta-Acetoxy-5-en-25-(2'[5'-p-methoxyph
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Mol. Formula:
C37H50N2O5

M.W.:
602.82

1 activity values

1 unique targets

Type:
Unknown

AlogP:
8.15

Polar Surface Area:
83.68

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5281324

Name:
14-(quinoxalin-6-yl)-7,8,13b,14-tetrahydroindolo[2
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Mol. Formula:
C26H19N5O

M.W.:
417.47

Type:
---

AlogP:
4.96

Polar Surface Area:
65.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5279850

Name:
14-(6-methylpyridin-3-yl)-7,8,13b,14-tetrahydroind
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Mol. Formula:
C24H20N4O

M.W.:
380.45

Type:
---

AlogP:
4.72

Polar Surface Area:
52.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5278401

Name:
14-(2-chlorophenyl)-7,8,13b,14-tetrahydroindolo[2'
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Mol. Formula:
C24H18ClN3O

M.W.:
399.88

Type:
---

AlogP:
5.67

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5286877

Name:
14-(pyridin-3-yl)-7,8,13b,14-tetrahydroindolo[2',3
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Mol. Formula:
C23H18N4O

M.W.:
366.42

Type:
---

AlogP:
4.41

Polar Surface Area:
52.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5291173

Name:
14-(2-bromophenyl)-7,8,13b,14-tetrahydroindolo[2',
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Mol. Formula:
C24H18BrN3O

M.W.:
444.33

Type:
---

AlogP:
5.78

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5290442

Name:
14-(4-bromophenyl)-7,8,13b,14-tetrahydroindolo[2',
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Mol. Formula:
C24H18BrN3O

M.W.:
444.33

Type:
---

AlogP:
5.78

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5289802

Name:
14-(o-tolyl)-7,8,13b,14-tetrahydroindolo[2',3':3,4
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Mol. Formula:
C25H21N3O

M.W.:
379.46

Type:
---

AlogP:
5.33

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5283736

Name:
14-(4-methoxyphenyl)-7,8,13b,14-tetrahydroindolo[2
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Mol. Formula:
C25H21N3O2

M.W.:
395.46

Type:
---

AlogP:
5.03

Polar Surface Area:
48.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5277629

Name:
14-(5-bromopyridin-3-yl)-7,8,13b,14-tetrahydroindo
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Mol. Formula:
C23H17BrN4O

M.W.:
445.32

Type:
---

AlogP:
5.17

Polar Surface Area:
52.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5273905

Name:
14-(4-chlorophenyl)-7,8,13b,14-tetrahydroindolo[2'
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Mol. Formula:
C24H18ClN3O

M.W.:
399.88

Type:
---

AlogP:
5.67

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5273886

Name:
14-(p-tolyl)-7,8,13b,14-tetrahydroindolo[2',3':3,4
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Mol. Formula:
C25H21N3O

M.W.:
379.46

Type:
---

AlogP:
5.33

Polar Surface Area:
39.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5270892

Name:
Evodiamine

Mol. Formula:
C18H15N3O

M.W.:
289.34

Type:
---

AlogP:
3.29

Polar Surface Area:
48.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5270585

Name:
14-(6-chloropyridin-3-yl)-7,8,13b,14-tetrahydroind
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Mol. Formula:
C23H17ClN4O

M.W.:
400.87

Type:
---

AlogP:
5.07

Polar Surface Area:
52.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5208249

Name:
pyridin-3-ylmethyl 4-(3-methyl-2-(pyrrolidin-1-yl)
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Mol. Formula:
C26H28N4O3

M.W.:
444.54

7 activity values

7 unique targets

Type:
---

AlogP:
4.67

Polar Surface Area:
83.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5208000

Name:
pyridin-3-ylmethyl 4-(5-fluoro-2-(pyrrolidin-1-yl)
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Mol. Formula:
C25H25FN4O3

M.W.:
448.50

108 activity values

9 unique targets

Type:
---

AlogP:
4.50

Polar Surface Area:
83.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5207772

Name:
pyridin-3-ylmethyl 4-(3-fluoro-2-(pyrrolidin-1-yl)
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Mol. Formula:
C25H25FN4O3

M.W.:
448.50

7 activity values

7 unique targets

Type:
---

AlogP:
4.50

Polar Surface Area:
83.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5198405

Name:
pyridin-3-ylmethyl 4-(5-chloro-2-(pyrrolidin-1-yl)
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Mol. Formula:
C25H25ClN4O3

M.W.:
464.95

7 activity values

7 unique targets

Type:
---

AlogP:
5.01

Polar Surface Area:
83.56

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5193979

Name:
pyridin-3-ylmethyl 4-(5-methoxy-2-(pyrrolidin-1-yl
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Mol. Formula:
C26H28N4O4

M.W.:
460.53

7 activity values

7 unique targets

Type:
---

AlogP:
4.37

Polar Surface Area:
92.79

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS