Compounds

ALA4093365

Name:
(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(4-((N-(4-cyanop
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Mol. Formula:
C22H25N5O9S

M.W.:
535.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.44

Polar Surface Area:
180.01

HBA:
13

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4090865

Name:
(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(4-((N-p-toly
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Mol. Formula:
C30H34N4O11S

M.W.:
658.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
182.52

HBA:
14

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4089997

Name:
(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(4-((N-(1-methox
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Mol. Formula:
C20H30N4O11S

M.W.:
534.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.68

Polar Surface Area:
182.52

HBA:
14

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4087818

Name:
(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(4-((N-tetradecy
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Mol. Formula:
C29H50N4O9S

M.W.:
630.80

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
156.22

HBA:
12

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4086491

Name:
(2R,3R,4S,5S,6R)-2-(acetoxymethyl)-6-(4-((N-(4-cya
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Mol. Formula:
C25H29N5O11S

M.W.:
607.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.37

Polar Surface Area:
206.31

HBA:
15

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4083074

Name:
N-(4-cyanophenyl)-N-((1-((2R,3R,4S,5S,6R)-3,4,5-tr
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Mol. Formula:
C17H21N5O7S

M.W.:
439.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.91

Polar Surface Area:
182.03

HBA:
11

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4081532

Name:
(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R
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Mol. Formula:
C37H45N5O19S

M.W.:
895.85

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.09

Polar Surface Area:
303.67

HBA:
23

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4068912

Name:
(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(4-((N-butylmeth
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Mol. Formula:
C19H30N4O9S

M.W.:
490.54

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.16

Polar Surface Area:
156.22

HBA:
12

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4068223

Name:
N-(4-cyanophenyl)-N-((1-((2R,3R,4R,5S,6R)-3,4-dihy
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Mol. Formula:
C23H31N5O12S

M.W.:
601.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-4.09

Polar Surface Area:
261.18

HBA:
16

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4066493

Name:
(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(4-((N-hexylmeth
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Mol. Formula:
C21H34N4O9S

M.W.:
518.59

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.94

Polar Surface Area:
156.22

HBA:
12

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4065157

Name:
(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(4-((N-(1-met
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Mol. Formula:
C23H34N4O13S

M.W.:
606.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.75

Polar Surface Area:
208.82

HBA:
16

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4085619

Name:
(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(4-((N-phenylmet
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Mol. Formula:
C21H26N4O9S

M.W.:
510.53

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.57

Polar Surface Area:
156.22

HBA:
12

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4079941

Name:
(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(4-((N-(4-chloro
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Mol. Formula:
C22H27ClN4O9S

M.W.:
559.00

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.61

Polar Surface Area:
156.22

HBA:
12

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4065044

Name:
(2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((2R,3R,4S,5R
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Mol. Formula:
C37H45N5O19S

M.W.:
895.85

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.09

Polar Surface Area:
303.67

HBA:
23

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4104181

Name:
(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(4-((N-hexadecyl
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Mol. Formula:
C31H54N4O9S

M.W.:
658.86

11 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
156.22

HBA:
12

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4103273

Name:
(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(4-((N-p-tolylph
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Mol. Formula:
C27H30N4O9S

M.W.:
586.62

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
156.22

HBA:
12

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4100809

Name:
(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(4-((N-(3-met
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Mol. Formula:
C25H32N4O12S

M.W.:
612.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.51

Polar Surface Area:
191.75

HBA:
15

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4098038

Name:
(2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((2R,3R,4S,5R
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Mol. Formula:
C37H47ClN4O19S

M.W.:
919.31

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.08

Polar Surface Area:
279.88

HBA:
22

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4095526

Name:
N-(4-cyanophenyl)-N-((1-((2R,3R,4S,5R)-3,4-dihydro
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Mol. Formula:
C16H19N5O6S

M.W.:
409.42

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.27

Polar Surface Area:
161.80

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4074047

Name:
(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(4-((N-(4-cya
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Mol. Formula:
C25H29N5O11S

M.W.:
607.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.37

Polar Surface Area:
206.31

HBA:
15

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS