Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4450376

Name:
Methyl 2-((1S,5R,8S,8aS)-1-(3-chloro-2-methylpropanamido)-3,8-dimethyl-2-oxShow More⌵

Mol. Formula:
C20H28ClNO4

M.W.:
381.90

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4446257

Name:
2-((5R,8S,8aS)-3,8-Dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl)-N-Show More⌵

Mol. Formula:
C22H26BNO4

M.W.:
379.27

4 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4103104

Name:
1-((S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-5-hydroxy-3-((R)-1,1,1-trifluShow More⌵

Mol. Formula:
C24H20F3N3O3S

M.W.:
487.50

14 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
65.78

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3736090

Name:
(E)-7-((4-chlorophenyl)diazenyl)-1H-benzo[d][1,2,3]triazol-6-ol

Mol. Formula:
C12H8ClN5O

M.W.:
273.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
86.52

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3735908

Name:
2-(5,6-dichloro-1H-benzo[d][1,2,3]triazol-1-yl)-5-(hydroxymethyl)tetrahydroShow More⌵

Mol. Formula:
C11H11Cl2N3O4

M.W.:
320.13

Type:
Small molecule

AlogP:
0.35

Polar Surface Area:
100.63

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3245952

Name:
methyl 5-(cyanomethyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-imidazole-4-carboxylShow More⌵

Mol. Formula:
C12H15N3O3

M.W.:
249.27

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
77.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3218400

Name:
(2R,3R,4S)-3-acetamido-2-((1R,2R)-1-(5-(4-(4-(((1R,2R)-1-((2R,3R,4S)-3-acetShow More⌵

Mol. Formula:
C37H59N13O16

M.W.:
941.95

Type:
Small molecule

AlogP:
-4.89

Polar Surface Area:
463.35

HBA:
19

HBD:
16

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA3218399

Name:
(2R,3R,4S)-3-acetamido-2-((1R,2R)-1-(3-(4-(4-(((1R,2R)-1-((2R,3R,4S)-3-acetShow More⌵

Mol. Formula:
C35H55N13O16

M.W.:
913.90

Type:
Small molecule

AlogP:
-5.67

Polar Surface Area:
463.35

HBA:
19

HBD:
16

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA3218398

Name:
(2R,3R,4S)-3-acetamido-2-((1R,2R)-1-(3-(4-(2-(((1R,2R)-1-((2R,3R,4S)-3-acetShow More⌵

Mol. Formula:
C33H51N13O16

M.W.:
885.85

Type:
Small molecule

AlogP:
-6.45

Polar Surface Area:
463.35

HBA:
19

HBD:
16

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA3218397

Name:
(2R,2'R,3R,3'R,4S,4'S)-2,2'-((1R,1'R,2R,2'R)-1,1'-(5,5'-(4,4'-(pentane-1,5-Show More⌵

Mol. Formula:
C45H72N16O16

M.W.:
1093.17

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3218396

Name:
(2R,2'R,3R,3'R,4S,4'S)-2,2'-((1R,1'R,2R,2'R)-1,1'-(3,3'-(4,4'-(propane-1,3-Show More⌵

Mol. Formula:
C39H60N16O16

M.W.:
1009.00

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3218395

Name:
(2R,3R,4S)-3-acetamido-2-((1R,2R)-1-(8-(1-(7-(((1R,2R)-1-((2R,3R,4S)-3-acetShow More⌵

Mol. Formula:
C43H71N13O16

M.W.:
1026.12

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3218394

Name:
(2R,3R,4S)-3-acetamido-2-((1R,2R)-1-(7-(4-(4-(((1R,2R)-1-((2R,3R,4S)-3-acetShow More⌵

Mol. Formula:
C39H63N13O16

M.W.:
970.01

Type:
Small molecule

AlogP:
-4.11

Polar Surface Area:
463.35

HBA:
19

HBD:
16

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA3126782

Name:
N-(1-(3,4-Dichlorobenzyl)-1H-1,2,3-triazol-4-yl)methyl 2-((5R,8S,8aS)-3,8-dShow More⌵

Mol. Formula:
C25H28Cl2N4O2

M.W.:
487.43

10 activity values

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
76.88

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3124959

Name:
N-(1-(4-Fluorobenzyl)-1H-1,2,3-triazol-4-yl)methyl 2-((5R,8S,8aS)-3,8-dimetShow More⌵

Mol. Formula:
C25H29FN4O2

M.W.:
436.53

11 activity values

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
76.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3126781

Name:
N-(1-(3-Fluorobenzyl)-1H-1,2,3-triazol-4-yl)methyl 2-((5R,8S,8aS)-3,8-dimetShow More⌵

Mol. Formula:
C25H29FN4O2

M.W.:
436.53

10 activity values

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
76.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3126779

Name:
N-(1-(4-Chlorobenzyl)-1H-1,2,3-triazol-4-yl)methyl 2-((5R,8S,8aS)-3,8-dimetShow More⌵

Mol. Formula:
C25H29ClN4O2

M.W.:
452.99

10 activity values