Compounds

ALA5267674

Name:
Cynavimigenin A

Mol. Formula:
C23H32O6

M.W.:
404.50

Type:
---

AlogP:
2.95

Polar Surface Area:
97.74

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5267642

Name:
(E)-2-(2-(1-(4-methylbenzyl)-1,2,3,6-tetrahydropyridin-4-yl)vinyl)quinolin-Show More⌵

Mol. Formula:
C24H25ClN2O

M.W.:
392.93

Type:
---

AlogP:
5.09

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5267471

Name:
(E)-2-(2-(1-(3-fluorobenzyl)-1,2,3,6-tetrahydropyridin-4-yl)vinyl)quinolin-Show More⌵

Mol. Formula:
C23H22ClFN2O

M.W.:
396.89

Type:
---

AlogP:
4.93

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5267461

Name:
(E)-2-(2-(1-(2-chlorobenzyl)-1,2,3,6-tetrahydropyridin-4-yl)vinyl)quinolin-Show More⌵

Mol. Formula:
C23H22Cl2N2O

M.W.:
413.35

Type:
---

AlogP:
5.44

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5267382

Name:
(3R,4S,5R,6R)-6-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)mShow More⌵

Mol. Formula:
C27H40N4O10

M.W.:
580.64

Type:
---

AlogP:
1.33

Polar Surface Area:
159.18

HBA:
14

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5267271

Name:
1-Methyl-4-[3-(1-naphthyloxy)propyl]piperazine

Mol. Formula:
C18H24N2O

M.W.:
284.40

Type:
---

AlogP:
2.86

Polar Surface Area:
15.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5267104

Name:
5-(3-((1-(4-fluorobenzyl)piperidin-4-yl)methoxy)phenyl)-3-(6-methylpyridin-Show More⌵

Mol. Formula:
C27H27FN4O2

M.W.:
458.54

Type:
---

AlogP:
5.54

Polar Surface Area:
64.28

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5267024

Name:
(E)-2-(2-(1-(4-(trifluoromethyl)benzyl)-1,2,3,6-tetrahydropyridin-4-yl)vinyShow More⌵

Mol. Formula:
C24H22ClF3N2O

M.W.:
446.90

Type:
---

AlogP:
5.80

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5267023

Name:
(E)-2-(2-(1-(3-(trifluoromethyl)benzyl)-1,2,3,6-tetrahydropyridin-4-yl)vinyShow More⌵

Mol. Formula:
C24H22ClF3N2O

M.W.:
446.90

Type:
---

AlogP:
5.80

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5267015

Name:
N-(7-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)heptyl)-1,2,3,4-tetrahyShow More⌵

Mol. Formula:
C31H38N4

M.W.:
466.67

Type:
---

AlogP:
7.02

Polar Surface Area:
43.95

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5266593

Name:
(2R,3R,4S,5S)-4-(benzyloxy)-5-((S)-1-(benzyloxy)-2-(dodecylamino)-2-oxoethyShow More⌵

Mol. Formula:
C42H54N4O6

M.W.:
710.92

Type:
---

AlogP:
7.98

Polar Surface Area:
113.80

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5266237

Name:
5-(3-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)phenyl)-3-(6-methylpyridin-Show More⌵

Mol. Formula:
C27H27FN4O2

M.W.:
458.54

Type:
---

AlogP:
5.54

Polar Surface Area:
64.28

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5265920

Name:
N-[3-[4-(4-pyridyl)piperazin-1-yl]propyl]benzofuran-2-carboxamide

Mol. Formula:
C21H24N4O2

M.W.:
364.45

Type:
---

AlogP:
2.77

Polar Surface Area:
61.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5265823

Name:
N-(4-(benzo[d]thiazol-2-ylmethyl)phenyl)-2-(4-(3-(benzyloxy)-2-methyl-4-oxoShow More⌵

Mol. Formula:
C35H29N3O3S

M.W.:
571.70

Type:
---

AlogP:
7.11

Polar Surface Area:
73.22

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5265756

Name:
(E)-2-(2-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)vinyl)-5,7-dichloroquinolShow More⌵

Mol. Formula:
C23H21Cl3N2O

M.W.:
447.79

Type:
---

AlogP:
6.09

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5221092

Name:
benzyl N-[(1S)-1-[(4-chlorophenyl)methylsulfamoylmethyl]-3-methyl-butyl]carShow More⌵

Mol. Formula:
C21H27ClN2O4S

M.W.:
438.98

3 activity values

3 unique targets

Type:
---

AlogP:
4.10

Polar Surface Area:
84.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5221034

Name:
2-(acridin-9-ylamino)ethyl N-(3-nitrophenyl)carbamate

Mol. Formula:
C22H18N4O4

M.W.:
402.41

2 activity values

2 unique targets

Type:
---

AlogP:
4.96

Polar Surface Area:
106.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5220807

Name:
methyl (5Z,8Z,11Z)-14-[(4-chlorophenyl)carbamoyloxy]tetradeca-5,8,11-trienoShow More⌵

Mol. Formula:
C22H28ClNO4

M.W.:
405.92

2 activity values

1 unique targets

Type:
---

AlogP:
6.07

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5220690

Name:
benzyl N-[(1S)-1-[(2-methoxyphenyl)methylsulfamoylmethyl]-3-methyl-butyl]caShow More⌵

Mol. Formula:
C22H30N2O5S

M.W.:
434.56

3 activity values

3 unique targets

Type:
---

AlogP:
3.46

Polar Surface Area:
93.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5220566

Name:
4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl piperidine-1-carbodithioate

Mol. Formula:
C19H24N2O2S2

M.W.:
376.55

2 activity values

2 unique targets

Type:
---

AlogP:
4.19

Polar Surface Area:
45.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS