Compounds

ALA4589438

Name:
(S)-5-Chloro-N-((4-(1-ethyl-1H-imidazol-2-yl)-2,5-
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Mol. Formula:
C18H16ClN5O4

M.W.:
401.81

34 activity values

14 unique targets

Type:
Unknown

AlogP:
1.77

Polar Surface Area:
118.26

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4587825

Name:
(S)-5-Chloro-N-((4-(1,5-dimethyl-1H-imidazol-2-yl)
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Mol. Formula:
C18H16ClN5O4

M.W.:
401.81

34 activity values

14 unique targets

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
118.26

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5282276

Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carb
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Mol. Formula:
C67H111N21O20

M.W.:
1530.75

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5278035

Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl
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Mol. Formula:
C26H45N7O12S2

M.W.:
711.82

Type:
---

AlogP:
-4.92

Polar Surface Area:
315.68

HBA:
13

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5286469

Name:
(4R)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carb
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Mol. Formula:
C67H110N20O21

M.W.:
1531.74

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5291260

Name:
(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S
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Mol. Formula:
C91H143N31O32S3

M.W.:
2279.53

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5290839

Name:
(4R,7S,10S,13S,16S,19S,22R)-22-amino-13-(2-carboxy
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Mol. Formula:
C26H43N7O12S2

M.W.:
709.80

Type:
---

AlogP:
-4.38

Polar Surface Area:
315.68

HBA:
13

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5290512

Name:
(4R,10S,13S,16S,19S,22S,25S,28S,31R)-31-amino-19,2
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Mol. Formula:
C36H58N10O17S2

M.W.:
967.05

Type:
---

AlogP:
-6.41

Polar Surface Area:
440.28

HBA:
17

HBD:
15

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5288351

Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3
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Mol. Formula:
C36H60N10O17S2

M.W.:
969.06

Type:
---

AlogP:
-6.95

Polar Surface Area:
440.28

HBA:
17

HBD:
17

#RO5 Violations:
3

#Rotatable Bonds:
31

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4102193

Name:
(R)-N-((4-Cyclopropyl-2,5-dioxoimidazolidin-4-yl)m
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Mol. Formula:
C17H18F3N3O3

M.W.:
369.34

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.74

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4094455

Name:
(S)-N-(((R)-4-Cyclopropyl-2,5-dioxoimidazolidin-4-
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Mol. Formula:
C18H20F3N3O3

M.W.:
383.37

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4072836

Name:
US9206139, 2

Mol. Formula:
C19H22F3N3O3

M.W.:
397.40

23 activity values

14 unique targets

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4066965

Name:
US9206139, 1

Mol. Formula:
C18H20F3N3O3

M.W.:
383.37

22 activity values

13 unique targets

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3980860

Name:
US9206139, 3

Mol. Formula:
C20H22F3N3O3

M.W.:
409.41

41 activity values

16 unique targets

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3972836

Name:
US9206139, 5

Mol. Formula:
C19H22F3N3O3

M.W.:
397.40

21 activity values

13 unique targets

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5273632

Name:
(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-1-
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Mol. Formula:
C57H66N14O14

M.W.:
1171.24

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5269839

Name:
(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S
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Mol. Formula:
C98H152N30O26S

M.W.:
2198.55

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268743

Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-
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Mol. Formula:
C74H109N21O21S

M.W.:
1660.88

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268051

Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S
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Mol. Formula:
C80H133N29O28S2

M.W.:
2013.25

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268022

Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2
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Mol. Formula:
C40H67N11O19S2

M.W.:
1070.17

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS