Compounds

Type:
---

AlogP:
9.47

Polar Surface Area:
144.08

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5204382

Name:
3-((6-bromoquinolin-4-yl)amino)phenol

Mol. Formula:
C15H11BrN2O

M.W.:
315.17

2 activity values

Type:
---

AlogP:
4.45

Polar Surface Area:
45.15

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5203636

Name:
6-((6-bromoquinolin-4-yl)amino)-1H-isoindol-1-one

Mol. Formula:
C17H10BrN3O

M.W.:
352.19

2 activity values

Type:
---

AlogP:
4.31

Polar Surface Area:
54.35

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5203225

Name:
(4,4',5'-trichloro-5-((pyrimidin-2-ylmethyl)thio)-1'H-[1,3'-bipyrrole]-2,2'Show More⌵

Mol. Formula:
C29H15Cl3F6N4O4S

M.W.:
735.88

Type:
---

AlogP:
8.76

Polar Surface Area:
121.10

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5202001

Name:
2-((3,4',5'-trichloro-2',5-bis(2-hydroxy-4-(trifluoromethyl)benzoyl)-1'H-[1Show More⌵

Mol. Formula:
C29H14Cl3F6N3O5S

M.W.:
736.86

Type:
---

AlogP:
8.46

Polar Surface Area:
122.26

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5201783

Name:
(4,4',5'-trichloro-5-((2-hydroxyethyl)thio)-1'H-[1,3'-bipyrrole]-2,2'-diyl)Show More⌵

Mol. Formula:
C26H15Cl3F6N2O5S

M.W.:
687.83

Type:
---

AlogP:
7.76

Polar Surface Area:
115.55

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5201294

Name:
(5-((1H-imidazole-2-yl)thio)-4,4',5'-trichloro-1'H-[1,3'-bipyrrole]-2,2'-diShow More⌵

Mol. Formula:
C27H13Cl3F6N4O4S

M.W.:
709.84

Type:
---

AlogP:
8.55

Polar Surface Area:
124.00

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5199401

Name:
(5-(benzo[d]thiazol-2-ylthio)-4,4',5'-trichloro-1'H-[1,3'-bipyrrole]-2,2'-dShow More⌵

Mol. Formula:
C31H14Cl3F6N3O4S2

M.W.:
776.95

Type:
---

AlogP:
10.44

Polar Surface Area:
108.21

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5197837

Name:
(4,4',5'-trichloro-5-((1-methyl-1H-tetrazol-5-yl)thio)-1'H-[1,3'-bipyrrole]Show More⌵

Mol. Formula:
C26H13Cl3F6N6O4S

M.W.:
725.84

Type:
---

AlogP:
7.35

Polar Surface Area:
138.92

HBA:
10

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5195868

Name:
(5-(benzo[d]oxazol-2-ylthio)-4,4',5'-trichloro-1'H-[1,3'-bipyrrole]-2,2'-diShow More⌵

Mol. Formula:
C31H14Cl3F6N3O5S

M.W.:
760.88

Type:
---

AlogP:
9.97

Polar Surface Area:
121.35

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5195111

Name:
N4-([1,1'-biphenyl]-4-yl)-N2-(2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl)pyShow More⌵

Mol. Formula:
C27H35N5

M.W.:
429.61

7 activity values

7 unique targets

Type:
---

AlogP:
6.25

Polar Surface Area:
61.87

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5192362

Name:
(5-((1H-1,2,4-triazol-3-yl)thio)-4,4',5'-trichloro-1'H-[1,3'-bipyrrole]-2,2Show More⌵

Mol. Formula:
C26H12Cl3F6N5O4S

M.W.:
710.83

Type:
---

AlogP:
7.95

Polar Surface Area:
136.89

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5191957

Name:
(4,4',5'-trichloro-5-((thiophen-2-yl)thio)-1'H-[1,3'-bipyrrole]-2,2'-diyl)bShow More⌵

Mol. Formula:
C28H13Cl3F6N2O4S2

M.W.:
725.90

Type:
---

AlogP:
9.89

Polar Surface Area:
95.32

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5190984

Name:
6-bromo-N-(5-fluoro-1H-indazol-6-yl)quinolin-4-amine

Mol. Formula:
C16H10BrFN4

M.W.:
357.19

2 activity values

Type:
---

AlogP:
4.76

Polar Surface Area:
53.60

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5190131

Name:
(4,4',5'-trichloro-5-(pyrazin-2-ylthio)-1'H-[1,3'-bipyrrole]-2,2'-diyl)bis(Show More⌵

Mol. Formula:
C28H13Cl3F6N4O4S

M.W.:
721.85

Type:
---

AlogP:
8.62

Polar Surface Area:
121.10

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5189312

Name:
(5S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(1S,4S,5R)-4,5,6-trihydroShow More⌵

Mol. Formula:
C30H48O4

M.W.:
472.71

1 activity values

Type:
---

AlogP:
5.60

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5188966

Name:
(5-((1H-benzo[d]imidazole-2-yl)thio)-4,4',5'-trichloro-1'H-[1,3'-bipyrrole]Show More⌵

Mol. Formula:
C31H15Cl3F6N4O4S

M.W.:
759.90

Type:
---

AlogP:
9.70

Polar Surface Area:
124.00

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5188302

Name:
(4,4',5'-trichloro-5-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-1'H-[1,3'-bipyrShow More⌵

Mol. Formula:
C27H13Cl3F6N4O4S2

M.W.:
741.91

Type:
---

AlogP:
8.99

Polar Surface Area:
121.10

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5186684

Name:
(4,4',5'-trichloro-5-((pyridin-2-ylmethyl)thio)-1'H-[1,3'-bipyrrole]-2,2'-dShow More⌵

Mol. Formula:
C30H16Cl3F6N3O4S

M.W.:
734.89

Type:
---

AlogP:
9.36

Polar Surface Area:
108.21

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5185409

Name:
(4,4',5'-trichloro-5-((3-hydroxypropyl)thio)-1'H-[1,3'-bipyrrole]-2,2'-diylShow More⌵

Mol. Formula:
C27H17Cl3F6N2O5S

M.W.:
701.86