Compounds

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
97.18

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4475671

Name:
Ethyl 4-(8-Fluoro-2-(methyl(1-methylpyrrolidin-3-y
Show More⌵

Mol. Formula:
C23H25FN4O3

M.W.:
424.48

Type:
Unknown

AlogP:
2.84

Polar Surface Area:
67.67

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4538643

Name:
N-[4-Cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thi
Show More⌵

Mol. Formula:
C23H30Cl2N6OS

M.W.:
509.51

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
66.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4538070

Name:
8-Chloro-2-(4-methylpiperazin-1-yl)-3-(o-tolyl)-qu
Show More⌵

Mol. Formula:
C20H21ClN4O

M.W.:
368.87

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
41.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4537519

Name:
7-Fluoro-2-(4-methyl-3-oxopiperazin-1-yl)-3-(4-(tr
Show More⌵

Mol. Formula:
C20H16F4N4O2

M.W.:
420.37

Type:
Unknown

AlogP:
2.82

Polar Surface Area:
58.44

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4536058

Name:
1-(((5S,7S)-3-(5-cyclopropylpyrazin-2-yl)-7-methyl
Show More⌵

Mol. Formula:
C25H26N6O2

M.W.:
442.52

Type:
Unknown

AlogP:
4.55

Polar Surface Area:
96.93

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4524711

Name:
3-(4-Methoxyphenyl)-2-(4-methylpiperazin-1-yl)-qui
Show More⌵

Mol. Formula:
C20H22N4O2

M.W.:
350.42

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
50.60

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4522756

Name:
rac-trans-1-((3-tert-butyl-2-oxo-1-oxa-3-azaspiro[
Show More⌵

Mol. Formula:
C21H26N4O2

M.W.:
366.47

6 activity values

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
71.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4521512

Name:
1-(((5S,7S)-3-(2-methoxyphenyl)-7-methyl-2-oxo-1-o
Show More⌵

Mol. Formula:
C25H26N4O3

M.W.:
430.51

8 activity values

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
80.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4520028

Name:
1-(((5S,7S)-3-(2-fluorophenyl)-2-oxo-1-oxa-3-azasp
Show More⌵

Mol. Formula:
C23H21FN4O2

M.W.:
404.45

Type:
Unknown

AlogP:
4.63

Polar Surface Area:
71.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4519974

Name:
1-tert-Butyl-N-[4-cyclobutyl-5-(4-methylpiperazin-
Show More⌵

Mol. Formula:
C21H33ClN6OS

M.W.:
453.06

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
66.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4535351

Name:
1-(((5S,7S)-3-(2-chlorophenyl)-2-oxo-1-oxa-3-azasp
Show More⌵

Mol. Formula:
C23H21ClN4O2

M.W.:
420.90

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
71.15

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4534649

Name:
4-(((3S,4S)-1-((2,4-dichlorophenyl)sulfonyl)-4-hyd
Show More⌵

Mol. Formula:
C18H16Cl2N2O6S2

M.W.:
491.37

Type:
Unknown

AlogP:
1.44

Polar Surface Area:
135.77

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4534189

Name:
7-Fluoro-2-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl
Show More⌵

Mol. Formula:
C22H20F4N4O

M.W.:
432.42

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
41.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4533534

Name:
4-[(3S,4R)-1-(2,4-dichlorophenyl)sulfonyl-4-hydrox
Show More⌵

Mol. Formula:
C18H16Cl2N2O6S2

M.W.:
491.37

18 activity values

Type:
Unknown

AlogP:
1.44

Polar Surface Area:
135.77

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4531567

Name:
N-[4-Cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thi
Show More⌵

Mol. Formula:
C23H34Cl2F2N6OS

M.W.:
551.54

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
66.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4556983

Name:
1-(((5S,7S)-3-(3-ethoxyphenyl)-2-oxo-1-oxa-3-azasp
Show More⌵

Mol. Formula:
C25H26N4O3

M.W.:
430.51

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
80.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4552995

Name:
7-Fluoro-3-(4-(trifluoromethoxy)-phenyl)-2-(3,3,4-
Show More⌵

Mol. Formula:
C22H22F4N4O

M.W.:
434.44

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
41.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4551456

Name:
3,5-Dimethoxy-N-{4-phenyl-5-[2-(piperidin-1-yl)eth
Show More⌵

Mol. Formula:
C25H31Cl2N3O3S

M.W.:
524.51

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
63.69

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4571300

Name:
1-(((5S,7S)-2-oxo-3-o-tolyl-1-oxa-3-azaspiro[4.5]d
Show More⌵

Mol. Formula:
C24H24N4O2

M.W.:
400.48