Compounds

Type:
---

AlogP:
3.73

Polar Surface Area:
68.28

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5202395

Name:
2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)-1-(4-methylpiperaShow More⌵

Mol. Formula:
C22H31N3O2

M.W.:
369.51

Type:
---

AlogP:
3.07

Polar Surface Area:
48.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5194579

Name:
3-phenyl-7-(pyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C19H19NO

M.W.:
277.37

Type:
---

AlogP:
4.01

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5186815

Name:
2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-1-(1-piperidyl)ethanShow More⌵

Mol. Formula:
C22H30N2O2

M.W.:
354.49

2 activity values

Type:
---

AlogP:
4.31

Polar Surface Area:
45.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5186426

Name:
2-(1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)-N-(2-(pyrrolidin-Show More⌵

Mol. Formula:
C23H33N3O2

M.W.:
383.54

Type:
---

AlogP:
3.51

Polar Surface Area:
57.36

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5179845

Name:
2-(1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)-N-(2-(piperidin-1Show More⌵

Mol. Formula:
C24H35N3O2

M.W.:
397.56

Type:
---

AlogP:
3.90

Polar Surface Area:
57.36

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5179426

Name:
2-(1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)-N-(2-morpholinoetShow More⌵

Mol. Formula:
C23H33N3O3

M.W.:
399.54

Type:
---

AlogP:
2.75

Polar Surface Area:
66.59

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5175221

Name:
2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)-1-(pyrrolidin-1-yShow More⌵

Mol. Formula:
C21H28N2O2

M.W.:
340.47

Type:
---

AlogP:
3.92

Polar Surface Area:
45.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5174034

Name:
4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide

Mol. Formula:
C19H21F2N3O

M.W.:
345.39

Type:
---

AlogP:
3.70

Polar Surface Area:
35.58

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5170440

Name:
2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)-1-morpholinoethanShow More⌵

Mol. Formula:
C21H28N2O3

M.W.:
356.47

Type:
---

AlogP:
3.16

Polar Surface Area:
54.56

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4776943

Name:
6-isopropyl-4-methyl-2-p-tolyl-5,6-dihydro-4H-1,3-selenazin-4-ol

Mol. Formula:
C15H21NOSe

M.W.:
310.30

2 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4294780

Name:
1-(2-chlorophenyl)-3-(4-(2-(ethylamino)pyridin-4-yl)-3-methoxyphenyl)urea

Mol. Formula:
C21H21ClN4O2

M.W.:
396.88

Type:
Small molecule

AlogP:
5.49

Polar Surface Area:
75.28

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4292716

Name:
1-(4-(2-(propylamino)pyridin-4-yl)-3-(trifluoromethyl)phenyl)-3-(4-(trifluoShow More⌵

Mol. Formula:
C23H20F6N4O

M.W.:
482.43

Type:
Small molecule

AlogP:
7.25

Polar Surface Area:
66.05

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4292458

Name:
1-(4-(2-(ethylamino)pyridin-4-yl)-3-fluorophenyl)-3-(4-methoxyphenyl)urea

Mol. Formula:
C21H21FN4O2

M.W.:
380.42

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
75.28

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4285267

Name:
1-(4-(2-(cyclopropylmethylamino)pyridin-4-yl)-3-(trifluoromethyl)phenyl)-3-Show More⌵

Mol. Formula:
C24H20F6N4O

M.W.:
494.44

Type:
Small molecule

AlogP:
7.25

Polar Surface Area:
66.05

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4281826

Name:
1-(4-(2-(ethylamino)pyridin-4-yl)-3-fluorophenyl)-3-(4-(trifluoromethyl)pheShow More⌵

Mol. Formula:
C21H18F4N4O

M.W.:
418.39

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
66.05

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4280703

Name:
1-(3-chlorophenyl)-3-(4-(2-(propylamino)pyridin-4-yl)-3-(trifluoromethyl)phShow More⌵

Mol. Formula:
C22H20ClF3N4O

M.W.:
448.88

Type:
Small molecule

AlogP:
6.89

Polar Surface Area:
66.05

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4277313

Name:
1-(3-chlorophenyl)-3-(4-(2-(cyclopropylmethylamino)pyridin-4-yl)-3-(trifluoShow More⌵

Mol. Formula:
C23H20ClF3N4O

M.W.:
460.89

Type:
Small molecule

AlogP:
6.89

Polar Surface Area:
66.05

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4177312

Name:
3-phenyl-3-(phenylsulfonamido)propanoic acid

Mol. Formula:
C15H15NO4S

M.W.:
305.36

3 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4176687

Name:
3-((4-cyanophenyl)sulfonamido)-3-phenylpropanoic acid

Mol. Formula:
C16H14N2O4S

M.W.:
330.37