Compounds

ALA5267214

Name:
(Z)-1-phenyl-4-(3-(trifluoromethyl)benzylidene)pyrazolidine-3,5-dione

Mol. Formula:
C17H11F3N2O2

M.W.:
332.28

Type:
---

AlogP:
3.17

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5266865

Name:
(1-((3S,4R)-1-(2-((3S,4R)-3-(4-((((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-Show More⌵

Mol. Formula:
C74H102N8O11

M.W.:
1279.67

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5266174

Name:
(R)-N,N'-(11-((2-(((R)-1-((2R,4S)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benShow More⌵

Mol. Formula:
C79H98Cl2N14O13S3

M.W.:
1618.84

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

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

ALA5291465

Name:
(((3S,3'S,4R,4'R)-ethane-1,2-diylbis(2-oxo-4-phenylazetidine-1,3-diyl))bis(Show More⌵

Mol. Formula:
C74H102N8O10

M.W.:
1263.68

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5289567

Name:
(Z)-4-(furan-2-ylmethylene)-1-phenylpyrazolidine-3,5-dione

Mol. Formula:
C14H10N2O3

M.W.:
254.25

Type:
---

AlogP:
1.74

Polar Surface Area:
62.55

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5289470

Name:
(Z)-1-(3-chloro-4-methylphenyl)-4-((6-nitrobenzo[d][1,3]dioxol-5-yl)methyleShow More⌵

Mol. Formula:
C18H12ClN3O6

M.W.:
401.76

Type:
---

AlogP:
2.75

Polar Surface Area:
111.01

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5288596

Name:
7-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine

Mol. Formula:
C19H15N3O

M.W.:
301.35

Type:
---

AlogP:
4.07

Polar Surface Area:
39.42

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5288240

Name:
(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadShow More⌵

Mol. Formula:
C74H104N10O9

M.W.:
1277.71

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

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