Compounds

Type:
---

AlogP:
1.42

Polar Surface Area:
120.05

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5206905

Name:
(R)-4-(4-((S)-2-(4-chlorophenyl)-3-(isopropylamino)propionyl)piperazin-l-ylShow More⌵

Mol. Formula:
C24H31ClN6O2

M.W.:
471.01

21 activity values

10 unique targets

Type:
---

AlogP:
3.01

Polar Surface Area:
90.46

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5204520

Name:
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(thiazol-2-yl)-pyrrolo[2,3-b]pyrShow More⌵

Mol. Formula:
C18H16N6O2S

M.W.:
380.43

11 activity values

Type:
---

AlogP:
2.55

Polar Surface Area:
132.94

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5201803

Name:
6-amino-2-cyclopropyl-5-(3-hydroxy-2,6-dimethylphenyl)-pyrrolo[2,3-b]pyraziShow More⌵

Mol. Formula:
C18H19N5O2

M.W.:
337.38

Type:
---

AlogP:
2.30

Polar Surface Area:
120.05

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

fipravirimat

Name:
FIPRAVIRIMAT

Mol. Formula:
C43H67FN2O4S

M.W.:
727.08

97 activity values

14 unique targets

Type:
Small molecule

AlogP:
8.40

Polar Surface Area:
86.71

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5200849

Name:
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-morpholino-pyrrolo[2,3-b]pyrazinShow More⌵

Mol. Formula:
C19H22N6O3

M.W.:
382.42

11 activity values

Type:
---

AlogP:
1.26

Polar Surface Area:
132.52

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5200005

Name:
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethyl-pyrrolo[2,3-b]pyrazinShow More⌵

Mol. Formula:
C17H19N5O2

M.W.:
325.37

Type:
---

AlogP:
2.04

Polar Surface Area:
120.05

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5199199

Name:
(4S)-5-((1S,6R)-5-((2S)-3-((3-oxabicyclo[3.1.0]hexan-6-yl)amino)-2-(4-chlorShow More⌵

Mol. Formula:
C27H31ClN6O3

M.W.:
523.04

Type:
---

AlogP:
2.38

Polar Surface Area:
99.69

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5199076

Name:
LUNRESERTIB

Mol. Formula:
C18H20N4O2

M.W.:
324.38

66 activity values

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
107.16

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5196713

Name:
2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-pyrrolo[2,3-b]pyridine-3-Show More⌵

Mol. Formula:
C16H15ClN4O2

M.W.:
330.78

23 activity values

7 unique targets

Type:
---

AlogP:
2.68

Polar Surface Area:
107.16

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5193325

Name:
(R)-5-((1S,6R)-5-((S)-2-(4-chlorophenyl)-3-((4-methoxycyclohexyl)amino)propShow More⌵

Mol. Formula:
C29H37ClN6O3

M.W.:
553.11

Type:
---

AlogP:
3.70

Polar Surface Area:
99.69

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5187508

Name:
(5R)-4-[(1S,6R)-5-[(2S)-3-amino-2-(4-chlorophenyl)propanoyl]-2,5-diazabicycShow More⌵

Mol. Formula:
C22H25ClN6O2

M.W.:
440.94

Type:
---

AlogP:
2.11

Polar Surface Area:
104.45

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5184541

Name:
6-(1-(2,4'-difluoro-5-methoxy-3'-(trifluoromethoxy)-[1,1'-biphenyl]-4-yl)-3Show More⌵

Mol. Formula:
C25H19F5N6O5S

M.W.:
610.52

Type:
---

AlogP:
5.00

Polar Surface Area:
135.64

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5182446

Name:
(R)-4-((1S,6R)-5-((S)-2-(4-chlorophenyl)-3-(cyclopropylamino)propanoyl)-2,5Show More⌵

Mol. Formula:
C25H29ClN6O2

M.W.:
481.00

9 activity values

9 unique targets

Type:
---

AlogP:
2.90

Polar Surface Area:
90.46

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5182071

Name:
6-amino-2-(3,5-difluoro-2-pyridyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[Show More⌵

Mol. Formula:
C20H16F2N6O2

M.W.:
410.38

11 activity values

Type:
---

AlogP:
2.76

Polar Surface Area:
132.94

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5179743

Name:
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1-hydroxy-1-methyl-ethyl)pyrrolShow More⌵

Mol. Formula:
C18H21N5O3

M.W.:
355.40

Type:
---

AlogP:
1.65

Polar Surface Area:
140.28

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4866043

Name:
3-((1R,3R)-1-(2,6-Difluoro-4-((1-(3-fluoropropyl)azetidin-3-yl)amino)phenylShow More⌵

Mol. Formula:
C27H30F6N4O

M.W.:
540.55

38 activity values

12 unique targets

Type:
Unknown

AlogP:
5.00

Polar Surface Area:
54.53

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4789100

Name:
4-{[(6-Bromo-3-methyl-2-phenylquinolin-4-yl)carbonyl]amino}bicyclo[2.2.2]ocShow More⌵

Mol. Formula:
C26H25BrN2O3

M.W.:
493.40

14 activity values