Compounds

ALA5272298

Name:
N'-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-N-pShow More⌵

Mol. Formula:
C23H26N4O3

M.W.:
406.49

Type:
---

AlogP:
2.25

Polar Surface Area:
90.87

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5271695

Name:
1-(4-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl)-2-(3,4-Show More⌵

Mol. Formula:
C17H15Cl3N6O

M.W.:
425.71

Type:
---

AlogP:
2.98

Polar Surface Area:
66.63

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5271513

Name:
(2S)-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]Show More⌵

Mol. Formula:
C26H29F3N4O3

M.W.:
502.54

Type:
---

AlogP:
3.82

Polar Surface Area:
90.87

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5270631

Name:
6-(4-(2-(3,4-dichlorophenyl)acetyl)piperazin-1-yl)benzo[d]thiazol-2(3H)-one

Mol. Formula:
C19H17Cl2N3O2S

M.W.:
422.34

Type:
---

AlogP:
3.79

Polar Surface Area:
56.41

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5270365

Name:
2-(3,4-dichlorophenyl)-1-(4-(5-nitrothiazol-2-yl)piperazin-1-yl)ethanone

Mol. Formula:
C15H14Cl2N4O3S

M.W.:
401.28

Type:
---

AlogP:
3.25

Polar Surface Area:
79.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5270295

Name:
2-(3,4-dichlorophenyl)-1-(4-(4-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-Show More⌵

Mol. Formula:
C17H15Cl2F3N4O

M.W.:
419.23

Type:
---

AlogP:
3.69

Polar Surface Area:
49.33

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5270122

Name:
N-(3,4-dichlorophenyl)-4-(7-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pipShow More⌵

Mol. Formula:
C17H17Cl2N7O

M.W.:
406.28

Type:
---

AlogP:
3.09

Polar Surface Area:
78.66

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5269620

Name:
(2R)-N-[(3S)-1-methyl-8-(oxetan-3-yloxy)-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-Show More⌵

Mol. Formula:
C29H33F3N4O5

M.W.:
574.60

Type:
---

AlogP:
3.60

Polar Surface Area:
109.33

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5269602

Name:
N-(5-(4-(2-(3,4-dichlorophenyl)acetyl)piperazin-1-yl)benzo[d]thiazol-2-yl)bShow More⌵

Mol. Formula:
C26H22Cl2N4O2S

M.W.:
525.46

Type:
---

AlogP:
5.75

Polar Surface Area:
65.54

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5269363

Name:
(2R)-5,5,5-trifluoro-N-[(3S)-1-methyl-2-oxo-8-phenoxy-5-phenyl-2,3-dihydro-Show More⌵

Mol. Formula:
C34H35F3N4O4

M.W.:
620.67

Type:
---

AlogP:
6.10

Polar Surface Area:
91.31

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5269298

Name:
1-(4-(2,7-naphthyridin-3-yl)piperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone

Mol. Formula:
C20H18Cl2N4O

M.W.:
401.30

Type:
---

AlogP:
3.83

Polar Surface Area:
49.33

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5268967

Name:
(2R)-N-[(3S)-7-chloro-1-methyl-8-(oxetan-3-yloxy)-2-oxo-5-phenyl-2,3-dihydrShow More⌵

Mol. Formula:
C31H34ClF3N4O5

M.W.:
635.08

Type:
---

AlogP:
4.74

Polar Surface Area:
100.54

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5268899

Name:
(2R)-5,5,5-trifluoro-N-[(3S)-8-methoxy-1-methyl-2-oxo-5-phenyl-2,3-dihydro-Show More⌵

Mol. Formula:
C29H33F3N4O4

M.W.:
558.60

Type:
---

AlogP:
4.31

Polar Surface Area:
91.31

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5268841

Name:
(2R)-5,5,5-trifluoro-N-[(3R)-1-methyl-8-(oxetan-3-yloxy)-2-oxo-5-phenyl-2,3Show More⌵

Mol. Formula:
C31H35F3N4O5

M.W.:
600.64

Type:
---

AlogP:
4.08

Polar Surface Area:
100.54

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5268645

Name:
Ethyl 6-(4-(2-(3,4-dichlorophenyl)acetyl)piperazin-1-yl)imidazo[1,2-b]pyridShow More⌵

Mol. Formula:
C21H21Cl2N5O3

M.W.:
462.34

Type:
---

AlogP:
3.10

Polar Surface Area:
80.04

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5268494

Name:
6-(4-(2-(3,4-dichlorophenyl)acetyl)piperazin-1-yl)imidazo[1,2-b]pyridazine-Show More⌵

Mol. Formula:
C19H17Cl2N5O3

M.W.:
434.28

Type:
---

AlogP:
2.63

Polar Surface Area:
91.04

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5267770

Name:
N-(3,4-dichlorophenyl)-4-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pipShow More⌵

Mol. Formula:
C17H17Cl2N7O

M.W.:
406.28

Type:
---

AlogP:
3.09

Polar Surface Area:
78.66

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5282565

Name:
2-(3,4-dichlorophenyl)-1-(4-(pyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl)eShow More⌵

Mol. Formula:
C18H17Cl2N5O

M.W.:
390.27

Type:
---

AlogP:
2.93

Polar Surface Area:
53.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5282149

Name:
1-(4-(2-benzyl-2H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-1-yl)-2-(3,4-dichloShow More⌵

Mol. Formula:
C25H23Cl2N5O

M.W.:
480.40

Type:
---

AlogP:
4.68

Polar Surface Area:
54.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5281839

Name:
2-(3,4-dichlorophenyl)-1-(4-(2-(morpholine-4-carbonyl)imidazo[1,2-b]pyridazShow More⌵

Mol. Formula:
C23H24Cl2N6O3

M.W.:
503.39

Type:
---

AlogP:
2.40

Polar Surface Area:
83.28

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS