Compounds

ALA5267339

Name:
(S)-1-(1-(2,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl)-N-((tetrahydro-2H-pyraShow More⌵

Mol. Formula:
C15H18Cl2N4O

M.W.:
341.24

Type:
---

AlogP:
3.09

Polar Surface Area:
51.97

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5266559

Name:
5-chloro-6-((4-(pyridin-2-yl)piperazin-1-yl)methyl)quinolin-8-ol

Mol. Formula:
C19H19ClN4O

M.W.:
354.84

Type:
---

AlogP:
3.31

Polar Surface Area:
52.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5266508

Name:
(+/-)-N-(tert-Butyl)-1-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-butanoyl)-Show More⌵

Mol. Formula:
C23H33Cl2N5O3

M.W.:
498.46

Type:
---

AlogP:
2.14

Polar Surface Area:
84.99

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5266395

Name:
1-Benzyl-4-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butanoyl)-3,4-dihydropyShow More⌵

Mol. Formula:
C25H28Cl2N4O2

M.W.:
487.43

Type:
---

AlogP:
4.24

Polar Surface Area:
47.10

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5266180

Name:
N-((1-(2-((2S,5S)-2-(6-aminopyridin-3-yl)-5-methylmorpholino)ethyl)-1H-1,2,Show More⌵

Mol. Formula:
C24H28N8O2

M.W.:
460.54

Type:
---

AlogP:
2.13

Polar Surface Area:
126.98

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5282604

Name:
N-(tert-Butyl)-2-(5,6-dibromo-2-(3-(4-(2,3-dichlorophenyl)-piperazin-1-yl)pShow More⌵

Mol. Formula:
C26H31Br2Cl2N5O

M.W.:
660.28

Type:
---

AlogP:
6.54

Polar Surface Area:
53.40

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5281830

Name:
N-Benzyl-2-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)propyl)-1-methyl-4-phenShow More⌵

Mol. Formula:
C31H33Cl2N5O

M.W.:
562.55

Type:
---

AlogP:
6.08

Polar Surface Area:
53.40

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5281787

Name:
N-Cyclohexyl-2-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)propyl)-1-methyl-4-Show More⌵

Mol. Formula:
C30H37Cl2N5O

M.W.:
554.57

Type:
---

AlogP:
6.21

Polar Surface Area:
53.40

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5280979

Name:
N-Cyclohexyl-2-(2-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)-propyl)-1H-benzShow More⌵

Mol. Formula:
C28H35Cl2N5O

M.W.:
528.53

Type:
---

AlogP:
5.55

Polar Surface Area:
53.40

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5280797

Name:
N-((1-(2-((2S,5S)-2-(6-aminopyridin-3-yl)-5-methylmorpholino)acetyl)pyrroliShow More⌵

Mol. Formula:
C26H32N6O3

M.W.:
476.58

Type:
---

AlogP:
2.19

Polar Surface Area:
116.58

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5280677

Name:
1-Cyclohexyl-4-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-butanoyl)-3,4-dihyShow More⌵

Mol. Formula:
C24H32Cl2N4O2

M.W.:
479.45

Type:
---

AlogP:
4.37

Polar Surface Area:
47.10

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5280481

Name:
N-(((1R,3R)-3-(2-((2S,5S)-2-(6-aminopyridin-3-yl)-5-methylmorpholino)ethyl)Show More⌵

Mol. Formula:
C27H35N5O2

M.W.:
461.61

Type:
---

AlogP:
4.14

Polar Surface Area:
96.27

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5280364

Name:
ethyl 5-fluoro-3-((4-phenylpiperazin-1-yl)methyl)-1H-indole-2-carboxylate

Mol. Formula:
C22H24FN3O2

M.W.:
381.45

Type:
---

AlogP:
3.81

Polar Surface Area:
48.57

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5279818

Name:
2-(3,4-Dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethan-1-amine

Mol. Formula:
C20H25NO2

M.W.:
311.43

Type:
---

AlogP:
3.57

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5278957

Name:
6-bromo-N-((3S,4S)-1-isopropyl-4-methylpyrrolidin-3-yl)-1H-indole-2-carboxaShow More⌵

Mol. Formula:
C17H22BrN3O

M.W.:
364.29

Type:
---

AlogP:
3.39

Polar Surface Area:
48.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5278853

Name:
3-((4-phenylpiperazin-1-yl)methyl)-1H-indole-2-carbonitrile

Mol. Formula:
C20H20N4

M.W.:
316.41

Type:
---

AlogP:
3.36

Polar Surface Area:
46.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5278601

Name:
N-Benzyl-2-(5,6-dibromo-2-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)propyl)-Show More⌵

Mol. Formula:
C29H29Br2Cl2N5O

M.W.:
694.30

Type:
---

AlogP:
6.94

Polar Surface Area:
53.40

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5278254

Name:
(+/-)-N-(tert-Butyl)-1-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-butanoyl)-Show More⌵

Mol. Formula:
C24H37Cl2N5O2

M.W.:
498.50

Type:
---

AlogP:
2.95

Polar Surface Area:
59.13

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5278239

Name:
N-(2-(Benzylamino)-2-oxoethyl)-4-(4-(2,3-dichlorophenyl)-piperazin-1-yl)-N-Show More⌵

Mol. Formula:
C24H30Cl2N4O2

M.W.:
477.44

Type:
---

AlogP:
3.67

Polar Surface Area:
55.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5277789

Name:
3-(2-(((6,6-diphenyl-1,4-dioxan-2-yl)methyl)amino)ethoxy)phenol

Mol. Formula:
C25H27NO4

M.W.:
405.49

Type:
---

AlogP:
3.72

Polar Surface Area:
59.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS