Compounds

Type:
Small molecule

AlogP:
0.19

Polar Surface Area:
198.00

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA126515

Name:
((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-Show More⌵

Mol. Formula:
C28H35N3O8S2

M.W.:
605.74

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
170.30

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA340359

Name:
((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-Show More⌵

Mol. Formula:
C25H31N3O8S2

M.W.:
565.67

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
170.30

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA333001

Name:
((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-Show More⌵

Mol. Formula:
C21H29N3O8S2

M.W.:
515.61

Type:
Small molecule

AlogP:
0.73

Polar Surface Area:
170.30

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA538163

Name:
((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-Show More⌵

Mol. Formula:
C21H29N3O8S2

M.W.:
515.61

Type:
Small molecule

AlogP:
0.73

Polar Surface Area:
170.30

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA125820

Name:
((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-Show More⌵

Mol. Formula:
C22H31N3O7S2

M.W.:
513.64

Type:
Small molecule

AlogP:
0.84

Polar Surface Area:
161.07

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA125075

Name:
((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-Show More⌵

Mol. Formula:
C21H29N3O8S2

M.W.:
515.61

Type:
Small molecule

AlogP:
0.73

Polar Surface Area:
170.30

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA332104

Name:
((S)-2-Amino-4-methyl-pentanoyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-Show More⌵

Mol. Formula:
C22H31N3O7S2

M.W.:
513.64

Type:
Small molecule

AlogP:
0.84

Polar Surface Area:
161.07

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA125221

Name:
((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-Show More⌵

Mol. Formula:
C26H31N3O8S2

M.W.:
577.68

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
170.30

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA340082

Name:
((S)-2-Amino-4-methyl-pentanoyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-Show More⌵

Mol. Formula:
C26H31N3O8S2

M.W.:
577.68

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
170.30

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA341331

Name:
((S)-2-Amino-4-methyl-pentanoyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-Show More⌵

Mol. Formula:
C28H35N3O8S2

M.W.:
605.74

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
170.30

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA276855

Name:
(2S,3R,4R,5S)-5-[(2S,3S)-3-((1S,2S)-2-Hydroxy-1-methyl-propyl)-oxiranylmethShow More⌵

Mol. Formula:
C22H29NO6

M.W.:
403.48

Type:
Small molecule

AlogP:
1.80

Polar Surface Area:
108.48

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA424608

Name:
(2S,3R,4R,5S)-5-[(2S,3S)-3-((1S,2S)-2-Hydroxy-1-methyl-propyl)-oxiranylmethShow More⌵

Mol. Formula:
C21H28N2O6

M.W.:
404.46

Type:
Small molecule

AlogP:
1.19

Polar Surface Area:
121.37

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA315230

Name:
(E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methylShow More⌵

Mol. Formula:
C19H32O7

M.W.:
372.46

Type:
Small molecule

AlogP:
0.80

Polar Surface Area:
108.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA86871

Name:
(2S,3R,4R,5S)-5-[(2S,3S)-3-((1S,2S)-2-Hydroxy-1-methyl-propyl)-oxiranylmethShow More⌵

Mol. Formula:
C22H29NO6

M.W.:
403.48

Type:
Small molecule

AlogP:
1.80

Polar Surface Area:
108.48

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA312853

Name:
(2S,3R,4R,5S)-5-[(2S,3S)-3-((1S,2S)-2-Hydroxy-1-methyl-propyl)-oxiranylmethShow More⌵

Mol. Formula:
C22H29NO6

M.W.:
403.48

Type:
Small molecule

AlogP:
1.80

Polar Surface Area:
108.48

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA87935

Name:
(2S,3R,4R,5S)-5-[(2S,3S)-3-((1S,2S)-2-Hydroxy-1-methyl-propyl)-oxiranylmethShow More⌵

Mol. Formula:
C21H28N2O6

M.W.:
404.46

Type:
Small molecule

AlogP:
1.19

Polar Surface Area:
121.37

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA83449

Name:
(2S,3R,4R,5S)-5-[(2S,3S)-3-((1S,2S)-2-Hydroxy-1-methyl-propyl)-oxiranylmethShow More⌵

Mol. Formula:
C20H28N4O5

M.W.:
404.47

Type:
Small molecule

AlogP:
0.25

Polar Surface Area:
126.05

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA83394

Name:
(2S,3R,4R,5S)-5-[(2S,3S)-3-((1S,2S)-2-Hydroxy-1-methyl-propyl)-oxiranylmethShow More⌵

Mol. Formula:
C22H29NO5S

M.W.:
419.54

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
95.34

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA85302

Name:
(2S,3R,4R,5S)-5-[(2S,3S)-3-((1S,2S)-2-Hydroxy-1-methyl-propyl)-oxiranylmethShow More⌵

Mol. Formula:
C22H29NO6

M.W.:
403.48