Compounds

Type:
Unknown

AlogP:
-0.95

Polar Surface Area:
215.43

HBA:
11

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4785647

Name:
tert-Butyl (2S,3R)-3-(((2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrShow More⌵

Mol. Formula:
C29H40N4O10

M.W.:
604.66

Type:
Unknown

AlogP:
0.31

Polar Surface Area:
204.43

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4764144

Name:
Methyl (2S,3R)-3-(((2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofurShow More⌵

Mol. Formula:
C44H79N9O10

M.W.:
894.17

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
298.23

HBA:
14

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
33

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4592367

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C27H44N6O9

M.W.:
596.68

7 activity values

6 unique targets

Type:
Unknown

AlogP:
-1.08

Polar Surface Area:
220.20

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4577355

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C33H48N6O9

M.W.:
672.78

8 activity values

7 unique targets

Type:
Unknown

AlogP:
0.14

Polar Surface Area:
220.20

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4565456

Name:
1-((2R,3R,4S,5S)-5-((R)-((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahyShow More⌵

Mol. Formula:
C39H50N6O11

M.W.:
778.86

Type:
Unknown

AlogP:
1.34

Polar Surface Area:
246.50

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4555507

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C27H44N6O9

M.W.:
596.68

8 activity values

7 unique targets

Type:
Unknown

AlogP:
-1.08

Polar Surface Area:
220.20

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4538720

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C22H34N6O10

M.W.:
542.55

Type:
Unknown

AlogP:
-4.06

Polar Surface Area:
240.43

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4528690

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C27H44N6O14

M.W.:
676.68

Type:
Unknown

AlogP:
-5.16

Polar Surface Area:
277.35

HBA:
19

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4526059

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C27H44N6O10

M.W.:
612.68

Type:
Unknown

AlogP:
-2.11

Polar Surface Area:
240.43

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4524781

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C40H52N6O11

M.W.:
792.89

7 activity values

6 unique targets

Type:
Unknown

AlogP:
1.21

Polar Surface Area:
246.50

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4521972

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C38H40N6O11

M.W.:
756.77

8 activity values

7 unique targets

Type:
Unknown

AlogP:
-0.36

Polar Surface Area:
246.50

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4470560

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C22H34N6O10

M.W.:
542.55

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-4.06

Polar Surface Area:
240.43

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4462457

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C26H43N7O9

M.W.:
597.67

Type:
Unknown

AlogP:
-2.53

Polar Surface Area:
246.22

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4455936

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C38H40N6O11

M.W.:
756.77

Type:
Unknown

AlogP:
-0.36

Polar Surface Area:
246.50

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4452848

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C40H52N6O11

M.W.:
792.89

Type:
Unknown

AlogP:
1.21

Polar Surface Area:
246.50

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4451116

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C26H43N7O9

M.W.:
597.67

Type:
Unknown

AlogP:
-2.53

Polar Surface Area:
246.22

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4441639

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C33H48N6O9

M.W.:
672.78

9 activity values

8 unique targets

Type:
Unknown

AlogP:
0.14

Polar Surface Area:
220.20

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4439498

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C27H44N6O10

M.W.:
612.68

Type:
Unknown

AlogP:
-2.11

Polar Surface Area:
240.43

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4439054

Name:
1-((2R,3R,4S,5S)-5-((S)-1-((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C27H44N6O14

M.W.:
676.68