Compounds

ALA5272671

Name:
(NZ)-N-[4-(4-cyanophenyl)-3-phenyl-thiazol-2-ylidene]thiophene-2-carboxamidShow More⌵

Mol. Formula:
C21H13N3OS2

M.W.:
387.49

Type:
---

AlogP:
4.88

Polar Surface Area:
58.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5272629

Name:
(2R,4S,5R,8R)-4-hydroxy-10,11-dimethoxy-5-(((5aR,6S,8R,9R,9aS)-9-methoxy-8-Show More⌵

Mol. Formula:
C26H35NO11

M.W.:
537.56

Type:
---

AlogP:
0.71

Polar Surface Area:
131.45

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5272619

Name:
(3aR,3bR,5S,7S,9R,10aR,11aS)-9-benzoyl-1,1,3a,11a,12,12-hexamethyl-7-(3-metShow More⌵

Mol. Formula:
C33H44O4

M.W.:
504.71

Type:
---

AlogP:
6.87

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5272361

Name:
(NZ)-N-(3,4-diphenylthiazol-2-ylidene)thiophene-2-carboxamide

Mol. Formula:
C20H14N2OS2

M.W.:
362.48

Type:
---

AlogP:
5.01

Polar Surface Area:
34.36

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5272354

Name:
diethyl ((5-(2-chlorophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamidShow More⌵

Mol. Formula:
C27H28ClN4O6PS

M.W.:
603.04

Type:
---

AlogP:
5.53

Polar Surface Area:
142.61

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5272130

Name:
4-[(2Z)-2-[3-amino-5-imino-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]hydrazinoShow More⌵

Mol. Formula:
C15H16N8O4S2

M.W.:
436.48

Type:
---

AlogP:
-0.48

Polar Surface Area:
210.18

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5272126

Name:
[2-morpholino-4-[4-(trifluoromethyl)phenyl]thiazol-5-yl]-(2-thienyl)methanoShow More⌵

Mol. Formula:
C19H15F3N2O2S2

M.W.:
424.47

Type:
---

AlogP:
4.96

Polar Surface Area:
42.43

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5271933

Name:
2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl 4-sulfamoylbenzoate

Mol. Formula:
C18H15F3N4O4S

M.W.:
440.40

Type:
---

AlogP:
2.47

Polar Surface Area:
117.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5271889

Name:
4-(5-phenyl-3-(2-(3-(trifluoromethyl)benzoyl)hydrazine-1-carbonyl)-1H-pyrazShow More⌵

Mol. Formula:
C24H18F3N5O4S

M.W.:
529.50

Type:
---

AlogP:
3.28

Polar Surface Area:
136.18

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5271871

Name:
4-[2-(N-phenylanilino)-5-(thiophene-2-carbonyl)thiazol-4-yl]benzonitrile

Mol. Formula:
C27H17N3OS2

M.W.:
463.59

Type:
---

AlogP:
7.44

Polar Surface Area:
56.99

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5271852

Name:
diethyl ((4-bromophenyl)(1-(4-sulfamoylphenyl)-5-(4-(trifluoromethyl)phenylShow More⌵

Mol. Formula:
C28H27BrF3N4O6PS

M.W.:
715.49

Type:
---

AlogP:
6.66

Polar Surface Area:
142.61

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5271850

Name:
5-((1-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-pyrazol-4-yl)methylene)-3-phenShow More⌵

Mol. Formula:
C26H20N4O3S2

M.W.:
500.61

Type:
---

AlogP:
4.21

Polar Surface Area:
84.30

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5271705

Name:
[4-[(Z)-[5-oxo-2-phenyl-1-(4-sulfamoylphenyl)imidazol-4-ylidene]methyl]phenShow More⌵

Mol. Formula:
C29H21N3O5S

M.W.:
523.57

Type:
---

AlogP:
4.39

Polar Surface Area:
119.13

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5271593

Name:
4-[(4Z)-4-[(4-fluoro-2-methyl-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-ylShow More⌵

Mol. Formula:
C18H16FN3O3S

M.W.:
373.41

Type:
---

AlogP:
2.59

Polar Surface Area:
92.83

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5271448

Name:
propyl 4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-6-carboxylatShow More⌵

Mol. Formula:
C15H14N4O3

M.W.:
298.30

Type:
---

AlogP:
1.68

Polar Surface Area:
89.87

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5271327

Name:
diethyl ((4-methoxyphenyl)(1-(4-sulfamoylphenyl)-5-(thiophen-2-yl)-1H-pyrazShow More⌵

Mol. Formula:
C26H29N4O7PS2

M.W.:
604.65

Type:
---

AlogP:
4.95

Polar Surface Area:
151.84

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5271136

Name:
(2-morpholino-4-phenyl-thiazol-5-yl)-(2-thienyl)methanone

Mol. Formula:
C18H16N2O2S2

M.W.:
356.47

Type:
---

AlogP:
3.94

Polar Surface Area:
42.43

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5271091

Name:
diethyl (1-(1-(4-sulfamoylphenyl)-5-(p-tolyl)-1H-pyrazole-3-carboxamido)ethShow More⌵

Mol. Formula:
C23H29N4O6PS

M.W.:
520.55

Type:
---

AlogP:
3.84

Polar Surface Area:
142.61

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5271087

Name:
(E)-3-(2,3-dichlorophenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one

Mol. Formula:
C16H12Cl2O3S

M.W.:
355.24

Type:
---

AlogP:
4.29

Polar Surface Area:
51.21

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5270815

Name:
4-[3-[(E)-2-(4-chlorophenyl)vinyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesShow More⌵

Mol. Formula:
C18H16ClN3O3S

M.W.:
389.86

Type:
---

AlogP:
3.18

Polar Surface Area:
92.83

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS