Compounds

Type:
---

AlogP:
3.63

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5208748

Name:
(3S,4R)-3,4-Epoxyajuforrestine A

Mol. Formula:
C20H20O5

M.W.:
340.38

3 activity values

Type:
---

AlogP:
3.87

Polar Surface Area:
83.20

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5208010

Name:
(2E,4E)-2-(3,4-Dimethoxyphenyl)-5-phenyl-1-(4-(pyrimidin-2-yl)piperazin-1-yShow More⌵

Mol. Formula:
C27H28N4O3

M.W.:
456.55

Type:
---

AlogP:
3.94

Polar Surface Area:
67.79

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5207727

Name:
6-(pyridin-2-yl)indolizino[3,2-c]quinoline

Mol. Formula:
C20H13N3

M.W.:
295.35

Type:
---

AlogP:
4.70

Polar Surface Area:
30.19

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5207366

Name:
(2E,4E)-5-(3-Methoxyphenyl)-2-phenyl-1-(4-(pyrimidin-2-yl)piperazin-1-yl)peShow More⌵

Mol. Formula:
C26H26N4O2

M.W.:
426.52

Type:
---

AlogP:
3.93

Polar Surface Area:
58.56

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5205879

Name:
11-methyl-6-(naphthalen-1-yl)indolizino[3,2-c]quinoline

Mol. Formula:
C26H18N2

M.W.:
358.44

Type:
---

AlogP:
6.77

Polar Surface Area:
17.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5205600

Name:
(11bS)-7,11-dihydroxy-3,4,8,11b-tetramethyl-1,8,9,11b-tetrahydrophenanthro[Show More⌵

Mol. Formula:
C20H20O4

M.W.:
324.38

9 activity values

3 unique targets

Type:
---

AlogP:
4.66

Polar Surface Area:
70.67

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5205411

Name:
(2E,4E)-5-(4-Hydroxyphenyl)-2-phenyl-1-(4-(pyrimidin-2-yl)piperazin-1-yl)peShow More⌵

Mol. Formula:
C25H24N4O2

M.W.:
412.49

4 activity values

Type:
---

AlogP:
3.63

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5203531

Name:
(2E,4E)-5-(4-hydroxy-3-methoxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)-1-(4-(pShow More⌵

Mol. Formula:
C27H28N4O5

M.W.:
488.54

3 activity values

Type:
---

AlogP:
3.35

Polar Surface Area:
108.25

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5203169

Name:
(8S,11bS)-7,11-dihydroxy-4,4,8,11b-tetramethyl-1,3,4,4a,5,8,9,11b-octahydroShow More⌵

Mol. Formula:
C20H26O4

M.W.:
330.42

Type:
---

AlogP:
4.26

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5202972

Name:
12-iodo-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline

Mol. Formula:
C22H15IN2O

M.W.:
450.28

Type:
---

AlogP:
5.92

Polar Surface Area:
26.53

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5202512

Name:
6-(3,5-dimethoxyphenyl)-11-methylindolizino[3,2-c]quinoline

Mol. Formula:
C24H20N2O2

M.W.:
368.44

Type:
---

AlogP:
5.63

Polar Surface Area:
35.76

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5202490

Name:
6-(4-chlorophenyl)indolizino[3,2-c]quinoline

Mol. Formula:
C21H13ClN2

M.W.:
328.80

Type:
---

AlogP:
5.96

Polar Surface Area:
17.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5201051

Name:
2-[2-[2-[2-[(3,5-dimethyl-1-adamantyl)amino]ethoxy]ethoxy]ethoxy]ethanol

Mol. Formula:
C20H37NO4

M.W.:
355.52

Type:
---

AlogP:
2.37

Polar Surface Area:
59.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5200581

Name:
6-(3,5-dimethoxyphenyl)indolizino[3,2-c]quinoline

Mol. Formula:
C23H18N2O2

M.W.:
354.41

Type:
---

AlogP:
5.32

Polar Surface Area:
35.76

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5200496

Name:
(2E,4E)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1-(4-(pyrimidin-2-yl)piperazShow More⌵

Mol. Formula:
C26H26N4O3

M.W.:
442.52

Type:
---

AlogP:
3.64

Polar Surface Area:
78.79

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5199533

Name:
(6aS,11aS,11bS)-3,4,8,11b-tetramethyl-1,11b-dihydro-6a,11a-epoxyphenanthro[Show More⌵

Mol. Formula:
C20H18O5

M.W.:
338.36

Type:
---

AlogP:
3.12

Polar Surface Area:
76.88

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5199449

Name:
(2E,4E)-5-(2,4-Dimethoxyphenyl)-2-phenyl-1-(4-(pyrimidin-2-yl)piperazin-1-yShow More⌵

Mol. Formula:
C27H28N4O3

M.W.:
456.55

Type:
---

AlogP:
3.94

Polar Surface Area:
67.79

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5199058

Name:
9-(3,5-dimethoxyphenyl)-6-(naphthalen-1-yl)indolizino[3,2-c]quinoline

Mol. Formula:
C33H24N2O2

M.W.:
480.57

Type:
---

AlogP:
8.15

Polar Surface Area:
35.76

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5198949

Name:
6-(4-methoxyphenyl)indolizino[3,2-c]quinoline

Mol. Formula:
C22H16N2O

M.W.:
324.38