Compounds

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
53.35

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4513287

Name:
6-(7-Methoxy-1-methyl-beta-carbolin-9-yl)hexanoic
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Mol. Formula:
C20H24N2O3

M.W.:
340.42

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
53.35

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4483653

Name:
6-(7-Methoxy-1-methyl-beta-carbolin-9-yl)hexanamid
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Mol. Formula:
C19H23N3O2

M.W.:
325.41

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
70.14

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4476003

Name:
N-Acetyl-4-(7-methoxy-1-methyl-beta-carbolin-9-yl)
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Mol. Formula:
C19H23N3O2

M.W.:
325.41

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4539999

Name:
4-(7-Methoxy-1-methyl-beta-carbolin-9-yl)butyric A
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Mol. Formula:
C17H19ClN2O3

M.W.:
334.80

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
64.35

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4521356

Name:
2-(7-Methoxy-1-methyl-beta-carbolin-9-yl)acetic Ac
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Mol. Formula:
C16H16N2O3

M.W.:
284.31

Type:
Unknown

AlogP:
2.68

Polar Surface Area:
53.35

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4521234

Name:
2,2-Dimethyl-4-(7-methoxy-1-methyl-beta-carbolin-9
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Mol. Formula:
C19H22N2O3

M.W.:
326.40

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
64.35

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4553904

Name:
2-(7-Methoxy-1-methyl-beta-carbolin-9-yl)acetic Ac
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Mol. Formula:
C15H15ClN2O3

M.W.:
306.75

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
64.35

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4552025

Name:
N-Acetyl-N-methyl-3-(7-methoxy-1-methyl-beta-carbo
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Mol. Formula:
C19H23N3O2

M.W.:
325.41

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
47.36

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4566933

Name:
N-Methyl-3-(7-methoxy-1-methyl-beta-carbolin-9-yl)
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Mol. Formula:
C17H21N3O

M.W.:
283.37

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
39.08

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4530280

Name:
7-iodo-2-phenyl-1H-indole-3-carbonitrile

Mol. Formula:
C15H9IN2

M.W.:
344.16

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
39.58

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4528315

Name:
3-(7-Methoxy-1-methyl-beta-carbolin-9-yl)propionic
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Mol. Formula:
C16H17ClN2O3

M.W.:
320.78

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
64.35

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4517870

Name:
2-(7-Methoxy-1-methyl-beta-carbolin-9-yl)acetamide

Mol. Formula:
C15H15N3O2

M.W.:
269.30

Type:
Unknown

AlogP:
1.99

Polar Surface Area:
70.14

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4743605

Name:
N-(6-hydroxybenzo[d]thiazol-2-yl)acetamide

Cas Number:
313496-85-4

Mol. Formula:
C9H8N2O2S

M.W.:
208.24

Type:
Unknown

AlogP:
1.96

Polar Surface Area:
62.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4741586

Name:
8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazol
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Mol. Formula:
C15H17N3O

M.W.:
255.32

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
61.03

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4741377

Name:
2-acetamidobenzo[d]thiazole-6-carboxamide

Mol. Formula:
C10H9N3O2S

M.W.:
235.27

Type:
Unknown

AlogP:
1.35

Polar Surface Area:
85.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4741261

Name:
8-methoxy-2,5,5-trimethyl-5,6-dihydrobenzo[h]quina
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Mol. Formula:
C16H19N3O

M.W.:
269.35

2 unique targets

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
61.03

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4740866

Name:
6-[7-fluoro-6-(4-pyridyl)benzimidazol-1-yl]pyridin
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Mol. Formula:
C18H12FN5O

M.W.:
333.33

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
86.69

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4776181

Name:
3-{3-Amino-4-[(3S)-3-aminopiperidin-1-yl]quinolin-
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Mol. Formula:
C23H26ClN7O

M.W.:
451.96

2 unique targets

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
125.95

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4764647

Name:
1-(1,3-benzodioxol-5-yl)-7-fluoro-6-(4-pyridyl)ben
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Mol. Formula:
C19H12FN3O2

M.W.:
333.32