Compounds

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
50.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4873617

Name:
(3aR,5s,6aS)-2-((tetrahydro-2H-pyran-4-yl)methyl-d2)-N-(6-(2,3,5-trifluoropShow More⌵

Mol. Formula:
C23H27F3N4O

M.W.:
434.50

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
50.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4873386

Name:
(3aR,5s,6aS)-N-(6-(2-chloro-5-fluorophenyl)pyridazin-3-yl)-2-((tetrahydro-2Show More⌵

Mol. Formula:
C23H28ClFN4O

M.W.:
430.96

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
50.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4872142

Name:
(S)-N-acetyl-6-amino-2-((S)-5-guanidino-2-(propylamino)pentanamido)hexanamiShow More⌵

Mol. Formula:
C21H37F6N7O7

M.W.:
613.56

Type:
Unknown

AlogP:
-1.11

Polar Surface Area:
175.22

HBA:
6

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4864914

Name:
(3aR,5s,6aS)-N-(6-(2,5-difluorophenyl)pyridazin-3-yl)-2-((tetrahydro-2H-pyrShow More⌵

Mol. Formula:
C23H28F2N4O

M.W.:
414.50

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
50.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4861863

Name:
(3aR,5s,6aS)-N-(6-(2-chloro-5-fluorophenyl)pyridazin-3-yl)-2-((tetrahydro-2Show More⌵

Mol. Formula:
C23H28ClFN4O

M.W.:
432.97

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
50.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4860985

Name:
(3aR,5s,6aS)-N-(6-(4-fluorophenyl)pyridazin-3-yl)-2-((tetrahydro-2H-pyran-4Show More⌵

Mol. Formula:
C23H29FN4O

M.W.:
396.51

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
50.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4855467

Name:
N-(4-(6-(((3aR,5s,6aS)-2-((tetrahydro-2H-pyran-4-yl)methyl)octahydrocyclopeShow More⌵

Mol. Formula:
C25H33N5O2

M.W.:
435.57

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
79.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4854289

Name:
(3aR,5s,6aS)-N-(6-(3-fluorophenyl)pyridazin-3-yl)-2-((tetrahydro-2H-pyran-4Show More⌵

Mol. Formula:
C23H29FN4O

M.W.:
396.51

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
50.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4852133

Name:
(S)-N-acetyl-6-amino-2-((S)-4-guanidino-2-(propylamino)butanamido)hexanamidShow More⌵

Mol. Formula:
C20H35F6N7O7

M.W.:
599.53

Type:
Unknown

AlogP:
-1.50

Polar Surface Area:
175.22

HBA:
6

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4851711

Name:
(3aR,5s,6aS)-N-(6-(2-fluorophenyl)pyridazin-3-yl)-2-((tetrahydro-2H-pyran-4Show More⌵

Mol. Formula:
C23H29FN4O

M.W.:
396.51

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
50.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4848896

Name:
(3aR,5s,6aS)-N-(6-(pyridin-3-yl)pyridazin-3-yl)-2-((tetrahydro-2H-pyran-4-yShow More⌵

Mol. Formula:
C22H29N5O

M.W.:
379.51

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
63.17

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4846035

Name:
(S)-N-acetyl-6-amino-2-((S)-2-((S)-5-guanidino-2-(propylamino)pentanamido)pShow More⌵

Mol. Formula:
C24H42F6N8O8

M.W.:
684.64

Type:
Unknown

AlogP:
-1.60

Polar Surface Area:
204.32

HBA:
7

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4793864

Name:
2-(2-methylindolin-1-yl)-1-(1-piperidyl)ethanone

Mol. Formula:
C16H22N2O

M.W.:
258.37

4 unique targets

Type:
Unknown

AlogP:
2.45

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA4745429

Name:
2-(2-methylindolin-1-yl)-1-pyrrolidin-1-yl-ethanone

Mol. Formula:
C15H20N2O

M.W.:
244.34

4 unique targets

Type:
Unknown

AlogP:
2.06

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA4648144

Name:
11-[2-[4-(4-aminobutyl)-1-piperidyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6Show More⌵

Mol. Formula:
C28H32F6N4O6

M.W.:
634.57

Type:
Unknown

AlogP:
3.76

Polar Surface Area:
78.67

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4645845

Name:
N-(2-aminoethyl)-3-[1-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-1Show More⌵

Mol. Formula:
C38H44F9N7O9

M.W.:
913.79

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
125.59

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4644670

Name:
(3R)-Quinuclidin-3-yl-biphen-2-ylcarbamate

Mol. Formula:
C20H22N2O2

M.W.:
322.41