Compounds

ALA5267177

Name:

Mol. Formula:
C21H18ClN3O2

M.W.:
379.85

Type:
---

AlogP:
4.12

Polar Surface Area:
56.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5266963

Name:
8-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-hydroxy-3,3-dimethyl-5-(3-methylbut-Show More⌵

Mol. Formula:
C28H28O5

M.W.:
444.53

Type:
---

AlogP:
5.68

Polar Surface Area:
64.99

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5220907

Name:

Mol. Formula:
C23H22BrN3O4

M.W.:
484.35

1 activity values

1 unique targets

Type:
---

AlogP:
2.99

Polar Surface Area:
89.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5281736

Name:
2-(1,3-benzodioxol-5-yl)-6-cyclohexyl-3,6,17-triazatetracyclo[8.7.0.0^3,8.0Show More⌵

Mol. Formula:
C27H27N3O4

M.W.:
457.53

Type:
---

AlogP:
3.91

Polar Surface Area:
74.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5281261

Name:
1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one

Mol. Formula:
C13H16N2O

M.W.:
216.28

Type:
---

AlogP:
2.50

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA5281220

Name:
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidShow More⌵

Mol. Formula:
C29H28N6O4

M.W.:
524.58

Type:
---

AlogP:
2.58

Polar Surface Area:
106.79

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5280799

Name:

Mol. Formula:
C24H23N3O3S

M.W.:
433.53

Type:
---

AlogP:
3.81

Polar Surface Area:
57.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5280474

Name:
2-(1,3-benzodioxol-5-yl)-6-isopropyl-3,6,17-triazatetracyclo[8.7.0.0^3,8.0^Show More⌵

Mol. Formula:
C24H23N3O4

M.W.:
417.47

Type:
---

AlogP:
2.99

Polar Surface Area:
74.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5278739

Name:
4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4-oxo-4H,6aH,8H,10aH-pyShow More⌵

Mol. Formula:
C25H25NO7

M.W.:
451.48

Type:
---

AlogP:
5.33

Polar Surface Area:
112.04

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5278646

Name:
5-[(2R,8R)-2-(4-bromophenyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.0^3,8.Show More⌵

Mol. Formula:
C25H25BrN4O4

M.W.:
525.40

Type:
---

AlogP:
3.29

Polar Surface Area:
105.74

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5278404

Name:
methyl(1R,3S)-2-(2-chloroacetyl)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyridShow More⌵

Mol. Formula:
C21H18Cl2N2O3

M.W.:
417.29

Type:
---

AlogP:
4.08

Polar Surface Area:
62.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5278188

Name:

Mol. Formula:
C23H22BrN3O2

M.W.:
452.35

Type:
---

AlogP:
5.01

Polar Surface Area:
56.41

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5278072

Name:

Mol. Formula:
C26H27N3O3

M.W.:
429.52

Type:
---

AlogP:
4.79

Polar Surface Area:
65.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5277907

Name:
2-[4-[[2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.0^3Show More⌵

Mol. Formula:
C32H31N7O6

M.W.:
609.64

Type:
---

AlogP:
2.41

Polar Surface Area:
153.22

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5277871

Name:
(13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyridShow More⌵

Mol. Formula:
C22H22N2O3

M.W.:
362.43

Type:
---

AlogP:
4.04

Polar Surface Area:
54.56

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5277768

Name:

Mol. Formula:
C22H21N3O3

M.W.:
375.43

Type:
---

AlogP:
3.47

Polar Surface Area:
65.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5276672

Name:
2-(1,3-benzodioxol-5-yl)-6-butyl-3,6,17-triazatetracyclo[8.7.0.0^3,8.0^11,1Show More⌵

Mol. Formula:
C25H25N3O4

M.W.:
431.49

Type:
---

AlogP:
3.38

Polar Surface Area:
74.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5276601

Name:
5-(2-ethoxy-5-((4-oxopiperidin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pShow More⌵

Mol. Formula:
C22H27N5O5S

M.W.:
473.56

Type:
---

AlogP:
2.03

Polar Surface Area:
127.25

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5275513

Name:
7-[(2R,8R)-2-(4-chlorophenyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.0^3,8Show More⌵

Mol. Formula:
C27H29ClN4O4

M.W.:
509.01

Type:
---

AlogP:
3.96

Polar Surface Area:
105.74

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5275356

Name:
(2R,8S)-6-[2-(1-benzyl-4-piperidyl)ethyl]-2-(4-methoxyphenyl)-3,6,17-triazaShow More⌵

Mol. Formula:
C35H38N4O3

M.W.:
562.71

Type:
---

AlogP:
5.16

Polar Surface Area:
68.88

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS