Compounds

Type:
---

AlogP:
3.67

Polar Surface Area:
155.90

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5196742

Name:
ethyl (1S,2R,3S,4R,5R)-4-(2-((5-chlorothiophen-2-yl)ethynyl)-4-((3-(3-hydroShow More⌵

Mol. Formula:
C31H31ClN4O6S

M.W.:
623.13

6 activity values

Type:
---

AlogP:
4.15

Polar Surface Area:
138.96

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5196412

Name:
(1S,2R,3S,4R,5R)-4-(6-((2-(3,4-difluorophenyl)cyclopropyl)amino)-2-((3-fluoShow More⌵

Mol. Formula:
C30H25F3N6O3

M.W.:
574.56

5 activity values

Type:
---

AlogP:
2.64

Polar Surface Area:
125.19

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5206067

Name:
dimethyl 2,6-dimethyl-4-[4-[(1Z,4Z,9Z,15Z)-10,15,20-tris[4-[3,5-bis(methoxyShow More⌵

Mol. Formula:
C88H74N8O16

M.W.:
1499.60

1 activity values

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5204802

Name:
(1S,2R,3S,4R,5R)-4-(6-((3-chlorobenzyl)amino)-2-((3,4-difluorophenyl)ethynyShow More⌵

Mol. Formula:
C28H23ClF2N6O3

M.W.:
564.98

5 activity values

Type:
---

AlogP:
2.80

Polar Surface Area:
125.19

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5204782

Name:
2-cyclohexylethyl (1S,2R,3S,4R,5R)-4-(2-((5-chlorothiophen-2-yl)ethynyl)-6-Show More⌵

Mol. Formula:
C27H30ClN5O4S

M.W.:
556.09

Type:
---

AlogP:
3.78

Polar Surface Area:
122.39

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5204103

Name:
benzyl (1S,2R,3S,4R,5R)-4-(2-((5-chlorothiophen-2-yl)ethynyl)-6-(methylaminShow More⌵

Mol. Formula:
C27H24ClN5O4S

M.W.:
550.04

Type:
---

AlogP:
3.05

Polar Surface Area:
122.39

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5202728

Name:
ethyl (1S,2R,3S,4R,5SR)-4-(2-((5-fluorothiophen-2-yl)ethynyl)-6-(methylaminShow More⌵

Mol. Formula:
C21H20FN5O4S

M.W.:
457.49

Type:
---

AlogP:
1.31

Polar Surface Area:
122.39

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5201437

Name:
ethyl (1S,2R,3S,4R,5R)-4-(2-((5-chlorothiophen-2-yl)ethynyl)-4-(methylaminoShow More⌵

Mol. Formula:
C22H21ClN4O4S

M.W.:
472.95

8 activity values

6 unique targets

Type:
---

AlogP:
2.43

Polar Surface Area:
109.50

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5201216

Name:
(1S,2R,3S,4R,5R)-4-(2-((3,4-difluorophenyl)ethynyl)-6-methyl-9H-purin-9-yl)Show More⌵

Mol. Formula:
C22H19F2N5O3

M.W.:
439.42

3 activity values

Type:
---

AlogP:
0.84

Polar Surface Area:
113.16

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5201199

Name:
4-(2-((2-((5-chlorothiophen-2-yl)ethynyl)-5H-purin-6-yl)amino)ethyl)benzeneShow More⌵

Mol. Formula:
C19H14ClN5O2S

M.W.:
411.87

3 activity values

Type:
---

AlogP:
2.62

Polar Surface Area:
101.93

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5200604

Name:
ethyl (1S,2R,3S,4R,5R)-4-(2-((5-chlorothiophen-2-yl)ethynyl)-4-((3-phenylprShow More⌵

Mol. Formula:
C30H29ClN4O4S

M.W.:
577.11

Type:
---

AlogP:
4.44

Polar Surface Area:
109.50

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5200306

Name:
2-((5-chlorothiophen-2-yl)ethynyl)-N-phenethyl-5H-purin-6-amine

Mol. Formula:
C19H14ClN5S

M.W.:
379.88

3 activity values

Type:
---

AlogP:
3.20

Polar Surface Area:
61.47

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5219884

Name:
(R)-9-(3,4-dimethoxyphenyl)-4-((3,3-dimethyloxiran-2-yl)methoxy)-7H-furo[3,Show More⌵

Mol. Formula:
C24H22O7

M.W.:
422.43

1 activity values

Type:
---

AlogP:
4.78

Polar Surface Area:
83.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5218863

Name:
4-methoxy-N-(2-(2-(4-methoxypyridin-3-yl)-2H-tetrazol-5-yl)phenyl)benzamide

Mol. Formula:
C21H18N6O3

M.W.:
402.41

1 activity values

Type:
---

AlogP:
2.99

Polar Surface Area:
104.05

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5209171

Name:
isopentyl (1S,2R,3S,4R,5R)-4-(2-((5-chlorothiophen-2-yl)ethynyl)-6-(methylaShow More⌵

Mol. Formula:
C24H26ClN5O4S

M.W.:
516.02

Type:
---

AlogP:
2.85

Polar Surface Area:
122.39

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5208918

Name:
isopropyl (1S,2R,3S,4R,5R)-4-(2-((5-chlorothiophen-2-yl)ethynyl)-6-(methylaShow More⌵

Mol. Formula:
C22H22ClN5O4S

M.W.:
487.97

Type:
---

AlogP:
2.22

Polar Surface Area:
122.39

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5208602

Name:
(1S,2R,3S,4R,5R)-4-(6-((3-(4-(3,4-difluorophenyl)-1H-1,2,3-triazol-1-yl)benShow More⌵

Mol. Formula:
C36H26F5N9O3

M.W.:
727.65

4 activity values

Type:
---

AlogP:
3.81

Polar Surface Area:
155.90

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5208559

Name:
(1S,2R,3S,4R,5R)-4-(6-((3-(4-(3,4-difluorophenyl)-1H-1,2,3-triazol-1-yl)benShow More⌵

Mol. Formula:
C36H27F4N9O3

M.W.:
709.66

Type:
---

AlogP:
3.67

Polar Surface Area:
155.90

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5208139

Name:
phenethyl (1S,2R,3S,4R,5R)-4-(2-((5-chlorothiophen-2-yl)ethynyl)-6-(methylaShow More⌵

Mol. Formula:
C28H26ClN5O4S

M.W.:
564.07