Compounds

2 unique targets

Type:
Unknown

AlogP:
5.13

Polar Surface Area:
63.33

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4550281

Name:
N-((S)-3-((S)-1-((S)-1-amino-4-methyl-1-oxopentan-
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Mol. Formula:
C31H51N7O7

M.W.:
633.79

Type:
Unknown

AlogP:
-0.87

Polar Surface Area:
234.84

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4549067

Name:
(E)-benzyl 5-hydroxy-1-(isopropylamino)-5-methyl-1
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Mol. Formula:
C24H38N2O4

M.W.:
418.58

Type:
Unknown

AlogP:
4.82

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4756686

Name:
(S)-3-((S)-1-((S)-1-amino-4-methylpentan-2-ylamino
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Mol. Formula:
C31H52N6O7

M.W.:
620.79

Type:
Unknown

AlogP:
0.03

Polar Surface Area:
214.97

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4753228

Name:
N-(2-(benzylamino)-1-(6-hydroxynaphthalen-2-yl)eth
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Mol. Formula:
C27H34N2O2

M.W.:
418.58

Type:
Unknown

AlogP:
5.81

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4750990

Name:
(4S,7S,10S,13S,16S,19S,22S,25S,28S,31S)-28-((1H-im
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Mol. Formula:
C147H244N44O43

M.W.:
3315.83

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4560982

Name:
benzyl (2S)-5-hydroxy-1-((S)-1-methoxy-3-phenylpro
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Mol. Formula:
C30H44N2O5

M.W.:
512.69

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
96.89

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4558660

Name:
(2S,E)-N-((S)-1-((S)-1-amino-4-methyl-1-oxopentan-
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Mol. Formula:
C33H54N4O6

M.W.:
602.82

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
170.85

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4553581

Name:
(2R,E)-methyl 2-(benzyloxycarbonylamino)-5-hydroxy
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Mol. Formula:
C22H33NO5

M.W.:
391.51

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4552756

Name:
(2S)-methyl 2-(benzyloxycarbonylamino)-4-(heptylsu
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Mol. Formula:
C20H31NO5S

M.W.:
397.54

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
87.69

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4785875

Name:
2-(4,7-dichloro-6-((2-methyl-6-(trifluoromethyl)py
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Mol. Formula:
C18H12Cl2F3NO3S

M.W.:
450.26

2 unique targets

Type:
Unknown

AlogP:
6.14

Polar Surface Area:
59.42

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4784392

Name:
(2S,5S)-methyl 2-(benzyloxycarbonylamino)-5-hydrox
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Mol. Formula:
C22H33NO5

M.W.:
391.51

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4762372

Name:
N-(2-(benzylamino)-1-(6-hydroxynaphthalen-2-yl)eth
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Mol. Formula:
C29H38N2O2

M.W.:
446.64

Type:
Unknown

AlogP:
6.59

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4778987

Name:
N-((S)-3-((S)-1-((S)-1-amino-4-methylpentan-2-ylam
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Mol. Formula:
C31H53N7O6

M.W.:
619.81

Type:
Unknown

AlogP:
-0.40

Polar Surface Area:
217.77

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4540928

Name:
(2S)-methyl 5-hydroxy-2-(3-hydroxy-2,2-dimethylpro
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Mol. Formula:
C18H35NO5

M.W.:
345.48

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4539330

Name:
(2S)-5-hydroxy-2-(3-hydroxy-2,2-dimethylpropanamid
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Mol. Formula:
C27H46N2O5

M.W.:
478.67

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
107.89

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4543170

Name:
(S)-methyl 2-(benzyloxycarbonylamino)-3-octanamido
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Mol. Formula:
C20H30N2O5

M.W.:
378.47

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
93.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4518289

Name:
(S)-methyl 2-(benzyloxycarbonylamino)-5-oxododecan
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Mol. Formula:
C21H31NO5

M.W.:
377.48

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
81.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4788110

Name:
(2S,5S)-methyl 2-(benzyloxycarbonylamino)-5-hydrox
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Mol. Formula:
C21H31NO5

M.W.:
377.48

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4741670

Name:
(1s,3R)-3-butyl-N-(((R)-1-((S)-3,3-dimethyl-2-(2-(
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Mol. Formula:
C23H42N4O2S

M.W.:
438.68