Compounds

ALA5270981

Name:
2-(4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-6,7-dihydrShow More⌵

Mol. Formula:
C30H20N4O4+2

M.W.:
500.51

Type:
---

AlogP:
4.47

Polar Surface Area:
88.28

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5270397

Name:
2-[4-(6,8-dibromo-2-oxo-chromen-3-yl)thiazol-2-yl]benzo[de]isoquinoline-1,3Show More⌵

Mol. Formula:
C24H10Br2N2O4S

M.W.:
582.23

Type:
---

AlogP:
6.40

Polar Surface Area:
80.48

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5269268

Name:

Mol. Formula:
C38H12Br4N4O8S2

M.W.:
1036.28

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268505

Name:
(E)-2-((3-ethoxy-4-hydroxybenzylidene)amino)-1H-benzo[de]isoquinoline-1,3(2Show More⌵

Mol. Formula:
C21H16N2O4

M.W.:
360.37

Type:
---

AlogP:
3.57

Polar Surface Area:
79.20

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5281715

Name:

Mol. Formula:
C62H48N4O8S2

M.W.:
1041.22

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5280756

Name:
6-((2-((2-aminoethyl)amino)ethyl)amino)-2-(2-(dimethylamino)ethyl)-1H-benzoShow More⌵

Mol. Formula:
C20H27N5O2

M.W.:
369.47

Type:
---

AlogP:
0.96

Polar Surface Area:
90.70

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5280694

Name:
6-((2-aminoethyl)amino)-2-(3-(dimethylamino)propyl)-1H-benzo[de]isoquinolinShow More⌵

Mol. Formula:
C19H24N4O2

M.W.:
340.43

Type:
---

AlogP:
1.76

Polar Surface Area:
78.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5280239

Name:
2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-6,7-dihydrShow More⌵

Mol. Formula:
C30H20N4O4+2

M.W.:
500.51

Type:
---

AlogP:
4.47

Polar Surface Area:
88.28

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5278938

Name:
2-(p-tolyl)-6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium

Mol. Formula:
C19H18N2+2

M.W.:
274.37

Type:
---

AlogP:
2.92

Polar Surface Area:
7.76

HBA:
---

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.60

DETAILS

ALA5278652

Name:
(E)-2-((2-hydroxy-3-methoxybenzylidene)amino)-1H-benzo[de]isoquinoline-1,3(Show More⌵

Mol. Formula:
C20H14N2O4

M.W.:
346.34

Type:
---

AlogP:
3.18

Polar Surface Area:
79.20

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5278299

Name:

Mol. Formula:
C38H14Br2N4O8S2

M.W.:
878.49

Type:
---

AlogP:
8.43

Polar Surface Area:
160.96

HBA:
12

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5277915

Name:
2-[4-(6-chloro-2-oxo-chromen-3-yl)thiazol-2-yl]benzo[de]isoquinoline-1,3-diShow More⌵

Mol. Formula:
C24H11ClN2O4S

M.W.:
458.88

Type:
---

AlogP:
5.52

Polar Surface Area:
80.48

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5277748

Name:
2-[4-(8-methoxy-2-oxo-chromen-3-yl)thiazol-2-yl]benzo[de]isoquinoline-1,3-dShow More⌵

Mol. Formula:
C25H14N2O5S

M.W.:
454.46

Type:
---

AlogP:
4.88

Polar Surface Area:
89.71

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5276072

Name:
2-(2-aminoethyl)-6-(2-aminoethylamino)benzo[de]isoquinoline-1,3-dione

Mol. Formula:
C16H18N4O2

M.W.:
298.35

Type:
---

AlogP:
0.77

Polar Surface Area:
101.45

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5275609

Name:
2,7-bis(4-(8-methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl)benzo[lmn][3,8]phenShow More⌵

Mol. Formula:
C40H20N4O10S2

M.W.:
780.75

Type:
---

AlogP:
6.92

Polar Surface Area:
179.42

HBA:
14

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5274255

Name:
6-((2-((2-((2-aminoethyl)amino)ethyl)amino)ethyl)amino)-2-(2-(dimethylaminoShow More⌵

Mol. Formula:
C22H32N6O2

M.W.:
412.54

Type:
---

AlogP:
0.55

Polar Surface Area:
102.73

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5273523

Name:
8-(1-Benzyl-1H-benzo[d]imidazole-6-yl)-6-(1-cyclohexyl-1H-benzo[d]imidazoleShow More⌵

Mol. Formula:
C33H29N7

M.W.:
523.64

Type:
---

AlogP:
7.32

Polar Surface Area:
65.83

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5286939

Name:
2-[4-[5,6-bis[(1E)-hexa-1,5-dienyl]-2-oxo-chromen-3-yl]thiazol-2-yl]benzo[dShow More⌵

Mol. Formula:
C36H28N2O4S

M.W.:
584.70

Type:
---

AlogP:
8.83

Polar Surface Area:
80.48

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5285797

Name:
2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]benzo[de]isoquinoline-1,3-dioShow More⌵

Mol. Formula:
C24H11BrN2O4S

M.W.:
503.33

Type:
---

AlogP:
5.63

Polar Surface Area:
80.48

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5285566

Name:
[amino-[2-[6-[2-[[amino(azaniumylidene)methyl]amino]ethylamino]-1,3-dioxo-bShow More⌵

Mol. Formula:
C18H22N8O2

M.W.:
382.43

Type:
---

AlogP:
-0.19

Polar Surface Area:
173.21

HBA:
5

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS