Compounds

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
70.59

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4876214

Name:
2-(3-((2,2-difluorocyclopropyl)methoxy)-1,4'-bipiperidin-1'-yl)-N-((3,5-difShow More⌵

Mol. Formula:
C24H29F4N5O2S

M.W.:
527.59

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
70.59

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4875484

Name:
N-((3,5-difluoropyridin-2-yl)methyl)-2-(3-fluoro-4-(5-azaspiro[2.5]octan-5-Show More⌵

Mol. Formula:
C22H26F3N5OS

M.W.:
465.55

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
61.36

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4868807

Name:
N-((3,5-difluoropyridin-2-yl)methyl)-2-(4-(7-methyl-3,4-dihydroisoquinolin-Show More⌵

Mol. Formula:
C25H27F2N5OS

M.W.:
483.59

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
61.36

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4866383

Name:
2-(3-(cyclobutylmethoxy)-1,4'-bipiperidin-1'-yl)-N-((3,5-difluoropyridin-2-Show More⌵

Mol. Formula:
C25H33F2N5O2S

M.W.:
505.64

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
70.59

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4852159

Name:
N-((3,5-difluoropyridin-2-yl)methyl)-2-(4-(8-methoxy-3,4-dihydroisoquinolinShow More⌵

Mol. Formula:
C25H27F2N5O2S

M.W.:
499.59

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
70.59

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4455344

Name:
2-((5-Chlorothiophen-2-yl)ethynyl)-N-cyclopentyl-9H-purin-6-amine

Mol. Formula:
C16H14ClN5S

M.W.:
343.84

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
66.49

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3590203

Name:
2'-(2-aminoethyl)biphenyl-3-carbonitrile

Mol. Formula:
C15H14N2

M.W.:
222.29

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
49.81

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.87

DETAILS

ALA3588912

Name:
1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine

Mol. Formula:
C15H18N2O

M.W.:
242.32

2 activity values

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
26.19

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.88

DETAILS

ALA3588911

Name:
N-((1-(2-methylbenzyl)-1H-imidazol-2-yl)methyl)propan-2-amine

Mol. Formula:
C15H21N3

M.W.:
243.35

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
29.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3588910

Name:
3-cyclopentyl-1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)propan-1-one

Mol. Formula:
C15H26N2OS

M.W.:
282.45

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.86

DETAILS

ALA3588909

Name:
2-amino-N-(2-phenoxyphenyl)acetamide

Mol. Formula:
C14H14N2O2

M.W.:
242.28

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
64.35

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3588908

Name:
2-((2-methoxyphenoxy)methyl)morpholine

Mol. Formula:
C12H17NO3

M.W.:
223.27

Type:
Small molecule

AlogP:
1.06

Polar Surface Area:
39.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3588907

Name:
N-(3-aminopropyl)-N-phenylbenzamide

Mol. Formula:
C16H18N2O

M.W.:
254.33

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
46.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3588906

Name:
1-(1-(3-chlorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-(ethylamShow More⌵

Mol. Formula:
C17H20ClN3O

M.W.:
317.82

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
37.27

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA3588905

Name:
1-(2-phenyl-1H-imidazol-4-yl)-N-(pyridin-3-ylmethyl)methanamine

Mol. Formula:
C16H16N4

M.W.:
264.33

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
53.60

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3588904

Name:
2-(pyridin-3-yl)-N-(pyridin-4-ylmethyl)aniline

Mol. Formula:
C17H15N3

M.W.:
261.33