Compounds

ALA5267646

Name:
(4R,10S,13S,16S,19S,22S,25S,28S,31S,34R)-34-amino-19,28-bis(2-carboxyethyl)Show More⌵

Mol. Formula:
C40H65N11O19S2

M.W.:
1068.15

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5266587

Name:
(3S)-3-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[2-[(2-aminoShow More⌵

Mol. Formula:
C82H109N25O24S2

M.W.:
1893.06

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5282276

Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carboxy-propanoyl]amino]-3-meShow More⌵

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-propanoyl]amino]propanoyShow More⌵

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

ALA5273632

Name:
(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[2-[(2-aminoShow More⌵

Mol. Formula:
C57H66N14O14

M.W.:
1171.24

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)-4-amino-2-[[(2R)-2-[[(2Show More⌵

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-carboxyethyl)-10,16-bis(hydroxymShow More⌵

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-19,28-bis(2-carboxyethyl)-16,Show More⌵

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-sulfanyl-propanoyl]aminoShow More⌵

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

ALA5286469

Name:
(4R)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carboxy-propanoyl]amino]-3-meShow More⌵

Mol. Formula:
C67H110N20O21

M.W.:
1531.74

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)-2-[[(2S)-2-[[(2S)-2-[[(Show More⌵

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)-2-[[(2S)-2-acetamido-4-amShow More⌵

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)-2-[[(2S)-2-[[(2S)-2-[[(Show More⌵

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-[[(2R)-2-amino-3-sulfanyl-proShow More⌵

Mol. Formula:
C40H67N11O19S2

M.W.:
1070.17

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4589438

Name:
(S)-5-Chloro-N-((4-(1-ethyl-1H-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl)meShow More⌵

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)-2,5-dioxoimidazolidin-4-Show More⌵

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

ALA4450729

Name:
(S)-N-((4-(1-Ethyl-1H-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl)-methyl)-5-Show More⌵

Mol. Formula:
C19H16F3N5O4

M.W.:
435.36

43 activity values

15 unique targets

Type:
Unknown

AlogP:
2.13

Polar Surface Area:
118.26

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4436740

Name:
N-[[(4S)-4-(1,5-Dimethylimidazol-2-yl)-2,5-dioxo-imidazolidin-4-yl]methyl]-Show More⌵

Mol. Formula:
C19H16F3N5O4

M.W.:
435.36

43 activity values

15 unique targets

Type:
Unknown

AlogP:
1.96

Polar Surface Area:
118.26

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4102193

Name:
(R)-N-((4-Cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl)-3-(4-(trifluorometShow More⌵

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-yl)methyl)-2-methyl-3-(4-Show More⌵

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