Compounds

ALA5271435

Name:
(Z)-4-(4-methyl-3-nitrobenzylidene)-1-p-tolylpyrazolidine-3,5-dione

Mol. Formula:
C18H15N3O4

M.W.:
337.34

Type:
---

AlogP:
2.67

Polar Surface Area:
92.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5270190

Name:
(Z)-1-(4-bromophenyl)-4-(4-(dimethylamino)benzylidene)pyrazolidine-3,5-dionShow More⌵

Mol. Formula:
C18H16BrN3O2

M.W.:
386.25

Type:
---

AlogP:
2.98

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5269601

Name:
5-(1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene)pyrimidine-2,4,6(1H,3HShow More⌵

Mol. Formula:
C13H7FN4O5

M.W.:
318.22

Type:
---

AlogP:
-1.13

Polar Surface Area:
124.68

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5268325

Name:
(Z)-1-(4-chlorophenyl)-4-(2-nitrobenzylidene)pyrazolidine-3,5-dione

Mol. Formula:
C16H10ClN3O4

M.W.:
343.73

Type:
---

AlogP:
2.71

Polar Surface Area:
92.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5268238

Name:
8-chloro-1-cyclopropyl-6-fluoro-7-(4-((3-(2-hydroxyphenyl)-4-(4-methoxybenzShow More⌵

Mol. Formula:
C34H32ClFN6O5S

M.W.:
691.19

Type:
---

AlogP:
5.76

Polar Surface Area:
117.99

HBA:
11

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5282134

Name:
ethyl 4-(3,5-dioxo-4-(propan-2-ylidene)pyrazolidin-1-yl)benzoate

Mol. Formula:
C15H16N2O4

M.W.:
288.30

Type:
---

AlogP:
1.58

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5281906

Name:
(Z)-1-(3-chlorophenyl)-4-(2-(dimethylamino)-5-nitrobenzylidene)pyrazolidineShow More⌵

Mol. Formula:
C18H15ClN4O4

M.W.:
386.80

Type:
---

AlogP:
2.78

Polar Surface Area:
95.79

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5280957

Name:
(Z)-1-(3,5-dichlorophenyl)-4-(3-oxoindolin-2-ylidene)pyrazolidine-3,5-dione

Mol. Formula:
C17H9Cl2N3O3

M.W.:
374.18

Type:
---

AlogP:
2.93

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5280565

Name:
2,7-bis(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine

Mol. Formula:
C18H11Cl2N3

M.W.:
340.21

Type:
---

AlogP:
5.37

Polar Surface Area:
30.19

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5280452

Name:
(Z)-4-(2-(dimethylamino)-5-nitrobenzylidene)-1-phenylpyrazolidine-3,5-dione

Mol. Formula:
C18H16N4O4

M.W.:
352.35

Type:
---

AlogP:
2.12

Polar Surface Area:
95.79

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5280344

Name:
8-chloro-1-cyclopropyl-6-fluoro-7-(4-((4-(4-fluorobenzyl)-3-(2-hydroxyphenyShow More⌵

Mol. Formula:
C33H29ClF2N6O4S

M.W.:
679.15

Type:
---

AlogP:
5.89

Polar Surface Area:
108.76

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5279762

Name:
(4R,4'R)-N,N'-((((3S,3'S,4R,4'R)-ethane-1,2-diylbis(2-oxo-4-phenylazetidineShow More⌵

Mol. Formula:
C74H104N10O8

M.W.:
1261.71

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5279515

Name:
(Z)-1-(4-chlorophenyl)-4-((5-nitrofuran-2-yl)methylene)pyrazolidine-3,5-dioShow More⌵

Mol. Formula:
C14H8ClN3O5

M.W.:
333.69

Type:
---

AlogP:
2.30

Polar Surface Area:
105.69

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5279408

Name:
(E)-ethyl 4-(4-benzylidene-3,5-dioxopyrazolidin-1-yl)benzoate

Mol. Formula:
C19H16N2O4

M.W.:
336.35

Type:
---

AlogP:
2.32

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5278758

Name:
(Z)-ethyl 4-(4-(2-hydroxybenzylidene)-3,5-dioxopyrazolidin-1-yl)benzoate

Mol. Formula:
C19H16N2O5

M.W.:
352.35

Type:
---

AlogP:
2.03

Polar Surface Area:
95.94

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5274624

Name:
(Z)-methyl 4-(4-(furan-2-ylmethylene)-3,5-dioxopyrazolidin-1-yl)benzoate

Mol. Formula:
C16H12N2O5

M.W.:
312.28

Type:
---

AlogP:
1.53

Polar Surface Area:
88.85

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5285802

Name:
(E)-1-(3-bromophenyl)-4-(2-oxoindolin-3-ylidene)pyrazolidine-3,5-dione

Mol. Formula:
C17H10BrN3O3

M.W.:
384.19

Type:
---

AlogP:
2.23

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5285588

Name:
(Z)-4-(4-(dimethylamino)benzylidene)-1-(3-(trifluoromethyl)phenyl)pyrazolidShow More⌵

Mol. Formula:
C19H16F3N3O2

M.W.:
375.35

Type:
---

AlogP:
3.23

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5284508

Name:
8-chloro-1-cyclopropyl-7-(4-((4-(3,5-dichlorophenyl)-3-(2-hydroxyphenyl)-5-Show More⌵

Mol. Formula:
C32H26Cl3FN6O4S

M.W.:
716.02

Type:
---

AlogP:
7.00

Polar Surface Area:
108.76

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5284129

Name:
(Z)-ethyl 4-(4-(furan-2-ylmethylene)-3,5-dioxopyrazolidin-1-yl)benzoate

Mol. Formula:
C17H14N2O5

M.W.:
326.31

Type:
---

AlogP:
1.92

Polar Surface Area:
88.85

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS