Compounds

ALA4514701

Name:
(S)-2-(3-((R)-3-carboxy-3-(4-iodobenzamido)propyl)
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Mol. Formula:
C17H20IN3O8

M.W.:
521.26

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.48

Polar Surface Area:
182.13

HBA:
5

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4513630

Name:
(7R,12S)-1-(4-Iodophenyl)-1,5,10-trioxo-2,6,9,11-t
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Mol. Formula:
C19H23IN4O9

M.W.:
578.32

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-0.40

Polar Surface Area:
211.23

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4513258

Name:
(R)-2-((R)-1-Carboxy-3-methylbutylcarbamoyloxy)pen
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Mol. Formula:
C12H19NO8

M.W.:
305.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.53

Polar Surface Area:
150.23

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4475674

Name:
(5S,8S,26S,30S)-2-((2S,4S)-4-((2R,4S,5S,6S)-4-amin
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Mol. Formula:
C67H82N8O22

M.W.:
1351.43

9 activity values

6 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4524986

Name:
(8R,14S)-1-(4-Iodophenyl)-1,6,12-trioxo-2,7,11,13-
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Mol. Formula:
C21H27IN4O9

M.W.:
606.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.38

Polar Surface Area:
211.23

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4558538

Name:
(9S,15S)-1-(4-Iodophenyl)-1,7,13-trioxo-2,8,12,14-
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Mol. Formula:
C22H29IN4O9

M.W.:
620.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.77

Polar Surface Area:
211.23

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4590944

Name:
(8R,13S)-1-(4-Iodophenyl)-1,6,11-trioxo-2,7,10,12-
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Mol. Formula:
C20H25IN4O9

M.W.:
592.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-0.01

Polar Surface Area:
211.23

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4588782

Name:
(7R,13S)-1-(4-Iodophenyl)-1,5,11-trioxo-2,6,10,12-
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Mol. Formula:
C20H25IN4O9

M.W.:
592.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-0.01

Polar Surface Area:
211.23

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4587808

Name:
(S)-2-(((R)-1-Carboxy-3-methylbutoxy)carbonylamino
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Mol. Formula:
C12H19NO8

M.W.:
305.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.53

Polar Surface Area:
150.23

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5282249

Name:
(3S,10S,14S)-3-(naphthalen-1-ylmethyl)-1,4,12-trio
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Mol. Formula:
C49H71N9O16

M.W.:
1042.15

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5281545

Name:
(S)-2-(3-((S)-1-carboxy-5-((trans)-4-(((trans)-4-(
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Mol. Formula:
C52H86N10O17

M.W.:
1123.31

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5279223

Name:
trans-(S)-2-(3-((S)-1-carboxy-5-(4-(((S)-3-(naphth
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Mol. Formula:
C57H78N10O17

M.W.:
1175.30

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5287113

Name:
(11S,18S,22S)-11-(naphthalen-2-ylmethyl)-2,9,12,20
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Mol. Formula:
C47H69N9O16

M.W.:
1016.12

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4870708

Name:
(2S,2'S)-2,2'-thiocarbonylbis(azanediyl)dipentaned
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Mol. Formula:
C11H16N2O8S

M.W.:
336.32

3 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.91

Polar Surface Area:
173.26

HBA:
5

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5289867

Name:
(14S,18S)-1,8,16-trioxo-1-(4-((2-(4,7,10-tris(carb
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Mol. Formula:
C42H65N9O16

M.W.:
952.03

Type:
---

AlogP:
-1.57

Polar Surface Area:
365.19

HBA:
14

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4462654

Name:
(R)-2-((S)-1-Carboxy-3-methylbutylcarbamoyloxy)pen
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Mol. Formula:
C12H19NO8

M.W.:
305.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.53

Polar Surface Area:
150.23

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4461865

Name:
(S)-2-(3-((R)-2-carboxy-2-(4-iodobenzamido)ethyl)u
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Mol. Formula:
C16H18IN3O8

M.W.:
507.24

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.09

Polar Surface Area:
182.13

HBA:
5

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4459899

Name:
(8S,13S)-1-(4-Iodophenyl)-1,6,11-trioxo-2,7,10,12-
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Mol. Formula:
C20H25IN4O9

M.W.:
592.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-0.01

Polar Surface Area:
211.23

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4459755

Name:
(7S,12S)-1-(4-Iodophenyl)-1,5,10-trioxo-2,6,9,11-t
Show More⌵

Mol. Formula:
C19H23IN4O9

M.W.:
578.32

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-0.40

Polar Surface Area:
211.23

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4466904

Name:
(9S,14S)-1-(4-Iodophenyl)-1,7,12-trioxo-2,8,11,13-
Show More⌵

Mol. Formula:
C21H27IN4O9

M.W.:
606.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.38

Polar Surface Area:
211.23

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS