Compounds

ALA5267548

Name:
2-[({5-bromo-2-[(2,4,5-trifluorophenyl)methoxy]phenyl}methyl)amino]ethan-1-Show More⌵

Mol. Formula:
C16H15BrF3NO2

M.W.:
390.20

Type:
---

AlogP:
3.53

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5273364

Name:
2-{[(5-bromo-2-{[3-(trifluoromethoxy)phenyl]methoxy}phenyl)methyl]amino}ethShow More⌵

Mol. Formula:
C17H17BrF3NO3

M.W.:
420.23

Type:
---

AlogP:
4.01

Polar Surface Area:
50.72

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4593462

Name:
3-Amino-6-methyl-N-(4-(piperazin-1-yl)phenethyl)thieno[2,3-b]pyridine-2-carShow More⌵

Mol. Formula:
C21H25N5OS

M.W.:
395.53

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
83.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4592617

Name:
3-amino-6-isopropoxy-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridiShow More⌵

Mol. Formula:
C23H29N5O2S

M.W.:
439.59

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
92.51

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4591938

Name:
(S)-N-(4-((5-oxa-2-azaspiro[3.4]octan-7-yl)oxy)phenethyl)-3-amino-6-methyltShow More⌵

Mol. Formula:
C23H26N4O3S

M.W.:
438.55

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.67

Polar Surface Area:
98.50

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4591793

Name:
3-amino-6-methyl-N-[(2S)-2-(4-piperazin-1-ylphenyl)propyl]thieno[2,3-b]pyriShow More⌵

Mol. Formula:
C22H28ClN5OS

M.W.:
446.02

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
83.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4591374

Name:
(S)-3-Amino-6-(1-hydroxyethyl)-N-(4-(piperazin-1-yl)phenethyl)thieno[2,3-b]Show More⌵

Mol. Formula:
C22H27N5O2S

M.W.:
425.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.31

Polar Surface Area:
103.51

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4590745

Name:
3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pheShow More⌵

Mol. Formula:
C23H24N6OS

M.W.:
432.55

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
97.86

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4590597

Name:
3-amino-N-[2-(2-fluoro-4-piperazin-1-yl-phenyl)ethyl]-6-methyl-thieno[2,3-bShow More⌵

Mol. Formula:
C21H24FN5OS

M.W.:
413.52

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
83.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4589695

Name:
3-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-difluoro-phenyShow More⌵

Mol. Formula:
C24H26F3N5OS

M.W.:
489.57

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
83.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4588664

Name:
3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluoro-phenyl]ethyl]-Show More⌵

Mol. Formula:
C23H26FN5OS

M.W.:
439.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
83.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4588575

Name:
3-amino-N-[2-(2,5-difluoro-4-piperazin-1-yl-phenyl)ethyl]-5-fluoro-6-methoxShow More⌵

Mol. Formula:
C21H22F3N5O2S

M.W.:
465.50

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.69

Polar Surface Area:
92.51

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4587318

Name:
N-((2R)-2-(4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl)propyl)-7-aShow More⌵

Mol. Formula:
C23H27FN6OS

M.W.:
454.58

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.20

Polar Surface Area:
96.17

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4587235

Name:
3-amino-N-[2-[4-[(5S)-3,9-diazaspiro[4.5]decan-3-yl]phenyl]ethyl]-6-methyl-Show More⌵

Mol. Formula:
C25H31N5OS

M.W.:
449.62

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
83.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4586751

Name:
3-amino-6-(hydroxymethyl)-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pShow More⌵

Mol. Formula:
C21H25N5O2S

M.W.:
411.53

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.75

Polar Surface Area:
103.51

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4586445

Name:
3-amino-N-[2-[2-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-6Show More⌵

Mol. Formula:
C23H26ClN5OS

M.W.:
456.02

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
83.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4586422

Name:
3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluoro-phenyl]prShow More⌵

Mol. Formula:
C24H28FN5OS

M.W.:
453.59

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
83.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4585948

Name:
3-amino-N-(3-chloro-4-(piperazin-1-yl)phenethyl)-4,6-dimethylthieno[2,3-b]pShow More⌵

Mol. Formula:
C22H27Cl2N5OS

M.W.:
480.47

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
83.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4585859

Name:
1-amino-N-(4-(piperazin-1-yl)phenethyl)-7,8-dihydro-6H-cyclopenta[d]thieno[Show More⌵

Mol. Formula:
C23H28ClN5OS

M.W.:
458.03

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
83.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4585832

Name:
N-((2R)-2-(4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2,5-difluorophenyl)pShow More⌵

Mol. Formula:
C23H26F2N6O2S

M.W.:
488.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
105.40

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS