Compounds

Type:
Unknown

AlogP:
1.75

Polar Surface Area:
234.67

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4645094

Name:
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-1-benzyl-Show More⌵

Mol. Formula:
C32H40N8O6

M.W.:
632.72

15 activity values

Type:
Unknown

AlogP:
0.23

Polar Surface Area:
251.68

HBA:
8

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4644694

Name:
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-1-benzyl-Show More⌵

Mol. Formula:
C32H39N7O7

M.W.:
633.71

37 activity values

6 unique targets

Type:
Unknown

AlogP:
0.41

Polar Surface Area:
244.90

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4642564

Name:
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[[(1R)-Show More⌵

Mol. Formula:
C34H41N9O6

M.W.:
671.76

28 activity values

Type:
Unknown

AlogP:
0.71

Polar Surface Area:
267.47

HBA:
8

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4640310

Name:
2-[(R)-[[(2S)-2-[[(2R)-3-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyShow More⌵

Mol. Formula:
C31H35N7O6

M.W.:
601.66

6 activity values

Type:
Unknown

AlogP:
0.41

Polar Surface Area:
231.59

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4638811

Name:
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[[(1R)-Show More⌵

Mol. Formula:
C33H38N6O6

M.W.:
614.70

6 activity values

Type:
Unknown

AlogP:
2.25

Polar Surface Area:
205.57

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4638691

Name:
(2R)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2Show More⌵

Mol. Formula:
C33H39N7O6

M.W.:
629.72

6 activity values

Type:
Unknown

AlogP:
1.19

Polar Surface Area:
231.59

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4638662

Name:
2-[(R)-[[(2S)-2-[[(2R)-4-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyShow More⌵

Mol. Formula:
C32H37N7O6

M.W.:
615.69

Type:
Unknown

AlogP:
0.80

Polar Surface Area:
231.59

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4635430

Name:
2-[(R)-[[(2S)-2-[[(2R)-3-acetamido-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propShow More⌵

Mol. Formula:
C31H36N6O7

M.W.:
604.66

Type:
Unknown

AlogP:
0.10

Polar Surface Area:
218.88

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4635184

Name:
(2R)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2Show More⌵

Mol. Formula:
C34H41N7O6

M.W.:
643.74

Type:
Unknown

AlogP:
1.58

Polar Surface Area:
231.59

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4634908

Name:
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[[(1R)-Show More⌵

Mol. Formula:
C35H43N9O6

M.W.:
685.79

Type:
Unknown

AlogP:
1.10

Polar Surface Area:
267.47

HBA:
8

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4633024

Name:
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[[(1R)-Show More⌵

Mol. Formula:
C34H40N8O7

M.W.:
672.74

37 activity values

6 unique targets

Type:
Unknown

AlogP:
0.90

Polar Surface Area:
260.69

HBA:
8

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4582146

Name:
2-(3,4-Dichlorophenyl)-1-[(4aRS,8RS,8aSR)-4-propyl-8-(pyrrolidin-1-yl)-3,4,Show More⌵

Mol. Formula:
C23H33Cl2N3O

M.W.:
438.44

15 activity values

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4483681

Name:
tert-Butyl (4aRS,5SR,8aSR)-4-[2-(3,4-dichlorophenyl)acetyl]-5-(pyrrolidin-1Show More⌵

Mol. Formula:
C25H35Cl2N3O3

M.W.:
496.48

13 activity values

Type:
Unknown

AlogP:
5.00

Polar Surface Area:
53.09

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4467644

Name:
2-(3,4-Dichlorophenyl)-1-[(4aRS,8RS,8aSR)-4-ethyl-8-(pyrrolidin-1-yl)-3,4,4Show More⌵

Mol. Formula:
C22H31Cl2N3O

M.W.:
424.42

13 activity values

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4462000

Name:
2-(3,4-Dichlorophenyl)-1-[(4aSR,8SR,8aSR)-4-methyl-8-(pyrrolidin-1-yl)-3,4,Show More⌵

Mol. Formula:
C21H29Cl2N3O

M.W.:
410.39

12 activity values

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4218965

Name:
rac-1-(6-cyclopentyl-8-(pyrrolidin-1-yl)octahydro-1H-pyrido[3,4-b][1,4]oxazShow More⌵

Mol. Formula:
C24H33Cl2N3O2

M.W.:
466.45

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
36.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4216717

Name:
rac-1-(6-butyl-8-(pyrrolidin-1-yl)octahydro-1H-pyrido[3,4-b][1,4]oxazin-1-yShow More⌵

Mol. Formula:
C23H33Cl2N3O2

M.W.:
454.44

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
36.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4216136

Name:
rac-6-(2-(3,4-dichlorophenyl)acetyl)-8-(pyrrolidin-1-yl)hexahydro-1H-pyridoShow More⌵

Mol. Formula:
C19H23Cl2N3O3

M.W.:
412.32

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
61.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4215892

Name:
rac-2-(3,4-Dichlorophenyl)-1-[(4aRS,8RS,8aRS)-6-methyl-8-(pyrrolidin-1-yl)-Show More⌵

Mol. Formula:
C20H27Cl2N3O2

M.W.:
412.36