Compounds

ALA5287370

Name:
4-amino-3'-(2-amino-3-cyclopropylpropyl)-[1,1'-bip
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Mol. Formula:
C19H21N3

M.W.:
291.40

Type:
---

AlogP:
3.48

Polar Surface Area:
75.83

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5286003

Name:
N-[4-(methoxymethyl)cyclohexyl]-1-oxo-1,2,3,4-tetr
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Mol. Formula:
C18H24N2O3

M.W.:
316.40

Type:
---

AlogP:
1.91

Polar Surface Area:
67.43

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5285449

Name:
3-amino-5-(trifluoromethyl)-1H-pyridin-2-one

Mol. Formula:
C6H5F3N2O

M.W.:
178.11

Type:
---

AlogP:
0.41

Polar Surface Area:
55.45

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.58

DETAILS

ALA5281989

Name:
3-(1-ethyl-1H-pyrazol-4-yl)-6H,7H-thieno[2,3-c]pyr
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Mol. Formula:
C12H11N3OS

M.W.:
245.31

Type:
---

AlogP:
2.47

Polar Surface Area:
50.68

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5280829

Name:
6-[3-(pyrazol-1-ylmethyl)phenyl]-2H-isoquinolin-1-
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Mol. Formula:
C19H15N3O

M.W.:
301.35

Type:
---

AlogP:
3.44

Polar Surface Area:
50.68

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5280643

Name:
6-[3-[[(3R)-3-aminopyrrolidin-1-yl]methyl]phenyl]i
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Mol. Formula:
C20H21N3O

M.W.:
319.41

Type:
---

AlogP:
3.14

Polar Surface Area:
62.38

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5279025

Name:
2-amino-6-{5-[(dimethylamino)methyl]-2-fluoropheny
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Mol. Formula:
C18H17FN4

M.W.:
308.36

Type:
---

AlogP:
3.49

Polar Surface Area:
68.84

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5279009

Name:
2-amino-4-({2-[(3,5-dimethoxyphenyl)amino]ethyl}am
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Mol. Formula:
C16H19N5O2

M.W.:
313.36

Type:
---

AlogP:
2.08

Polar Surface Area:
105.22

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5278563

Name:
4-amino-3'-[4-(aminomethyl)oxan-4-yl]-[1,1'-biphen
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Mol. Formula:
C19H21N3O

M.W.:
307.40

Type:
---

AlogP:
2.81

Polar Surface Area:
85.06

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5278260

Name:
2-amino-6-[(2,2-difluoro-1-methylcyclopropyl)metha
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Mol. Formula:
C13H15F2N3O2S2

M.W.:
347.41

Type:
---

AlogP:
1.94

Polar Surface Area:
87.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5277116

Name:
1-(3-chloropyridin-4-yl)-4-[5-(methoxymethyl)-4,5-
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Mol. Formula:
C14H21ClIN5O

M.W.:
437.71

Type:
---

AlogP:
0.83

Polar Surface Area:
52.99

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5276693

Name:
4-amino-3'-(morpholin-3-yl)-[1,1'-biphenyl]-3-carb
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Mol. Formula:
C17H17N3O

M.W.:
279.34

Type:
---

AlogP:
2.47

Polar Surface Area:
71.07

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5276685

Name:
4-[3-(2-aminoethyl)-2,3-dihydro-1H-indole-1-carbon
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Mol. Formula:
C18H19N3O2

M.W.:
309.37

Type:
---

AlogP:
1.88

Polar Surface Area:
89.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5273882

Name:
4-amino-3'-(morpholin-2-yl)-[1,1'-biphenyl]-3-carb
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Mol. Formula:
C17H17N3O

M.W.:
279.34

Type:
---

AlogP:
2.47

Polar Surface Area:
71.07

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5273503

Name:
4-amino-2-[(piperidin-4-ylidene)methyl]pyridine-3-
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Mol. Formula:
C12H14N4

M.W.:
214.27

Type:
---

AlogP:
1.30

Polar Surface Area:
74.73

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5271837

Name:
6-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]phenyl]i
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Mol. Formula:
C20H21N3O

M.W.:
319.41

Type:
---

AlogP:
3.14

Polar Surface Area:
62.38

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5270570

Name:
rac-6-{3-[(3-aminopyrrolidin-1-yl)methyl]phenyl}is
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Mol. Formula:
C20H21N3O

M.W.:
319.41

Type:
---

AlogP:
3.14

Polar Surface Area:
62.38

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5268186

Name:
N-((4-methoxy-1,1-dioxidotetrahydro-2H-thiopyran-4
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Mol. Formula:
C18H28N4O4S

M.W.:
396.51

Type:
---

AlogP:
0.82

Polar Surface Area:
91.84

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5266306

Name:
6-amino-2-chloro-3-(piperidin-3-ylidenemethyl)benz
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Mol. Formula:
C13H14ClN3

M.W.:
247.73

Type:
---

AlogP:
2.56

Polar Surface Area:
61.84

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5188493

Name:

Mol. Formula:
C88H115N19O21S2

M.W.:
1839.13

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS