Compounds

ALA1081014

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[2-(Z)-(3,4,5-trimethoxyShow More⌵

Mol. Formula:
C24H26N4O6

M.W.:
466.49

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.32

Polar Surface Area:
103.21

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1076164

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[2-(Z)-(4-chlorobenzylidShow More⌵

Mol. Formula:
C21H19ClN4O3

M.W.:
410.86

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
75.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1081737

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[2-(Z)-(4-nitrobenzylideShow More⌵

Mol. Formula:
C21H19N5O5

M.W.:
421.41

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
118.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA1081558

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[2-(Z)-(4-methoxybenzyliShow More⌵

Mol. Formula:
C22H22N4O4

M.W.:
406.44

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
84.75

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1081557

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[{2-(Z)-(2,3-dihydrobenzShow More⌵

Mol. Formula:
C23H22N4O5

M.W.:
434.45

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
93.98

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1076156

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[{2-(Z)-(2,3dihydrofuranShow More⌵

Mol. Formula:
C23H22N4O4

M.W.:
418.45

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
84.75

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1081757

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[{2-(Z)-(1,3-benzodioxolShow More⌵

Mol. Formula:
C22H20N4O5

M.W.:
420.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.02

Polar Surface Area:
93.98

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1081244

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[(2-(Z)-benzylideneaminoShow More⌵

Mol. Formula:
C21H20N4O3

M.W.:
376.42

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
75.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1081243

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[(2-aminoethyl)amino]-3,Show More⌵

Mol. Formula:
C14H17ClN4O3

M.W.:
324.77

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.13

Polar Surface Area:
89.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1081242

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[2-(3,4,5-trimethoxybenzShow More⌵

Mol. Formula:
C24H28N4O6

M.W.:
468.51

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
102.88

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1076139

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[2-(4-chlorobenzylamino)Show More⌵

Mol. Formula:
C21H21ClN4O3

M.W.:
412.88

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
75.19

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1081221

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[2-(4-nitrobenzylamino)eShow More⌵

Mol. Formula:
C21H21N5O5

M.W.:
423.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
118.33

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1081220

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[2-(4-methoxybenzylaminoShow More⌵

Mol. Formula:
C22H24N4O4

M.W.:
408.46

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
84.42

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1081219

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[2-{(1,4-benzodioxin-6-yShow More⌵

Mol. Formula:
C23H24N4O5

M.W.:
436.47

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
93.65

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1081218

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[2-{(2,3-dihydrobezofuraShow More⌵

Mol. Formula:
C23H24N4O4

M.W.:
420.47

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.90

Polar Surface Area:
84.42

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1082136

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[2-{(1,3-benzodioxol-5-yShow More⌵

Mol. Formula:
C22H22N4O5

M.W.:
422.44

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
93.65

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1082135

Name:
(5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[2-(benzylamino)ethylamiShow More⌵

Mol. Formula:
C21H22N4O3

M.W.:
378.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
75.19

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS