Compounds

ALA5267436

Name:
2-[(2E)-2-(3-amino-5-oxo-1H-pyrazol-4-ylidene)hydrazino]-4,5,6,7-tetrahydroShow More⌵

Mol. Formula:
C12H12N6OS

M.W.:
288.34

Type:
---

AlogP:
0.67

Polar Surface Area:
115.66

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5282169

Name:
ethyl 2-[(2E)-2-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)hydrazino]-4,5,6,7-tetShow More⌵

Mol. Formula:
C15H18N4O3S

M.W.:
334.40

Type:
---

AlogP:
2.08

Polar Surface Area:
92.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5281774

Name:
2-[(2E)-2-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)hydrazino]-4,5,6,7-tetrahydrShow More⌵

Mol. Formula:
C13H13N5OS

M.W.:
287.35

Type:
---

AlogP:
1.77

Polar Surface Area:
89.64

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5280355

Name:
2-amino-3-(3-ethylphenyl)-4,5-dioxo-3,5-dihydro-4H-benzo[5,6]chromeno[3,4-cShow More⌵

Mol. Formula:
C25H17N3O3

M.W.:
407.43

Type:
---

AlogP:
4.27

Polar Surface Area:
102.02

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5279370

Name:
2-amino-3-(2-ethylphenyl)-4,5-dioxo-3,5-dihydro-4H-benzo[5,6]chromeno[3,4-cShow More⌵

Mol. Formula:
C25H17N3O3

M.W.:
407.43

Type:
---

AlogP:
4.27

Polar Surface Area:
102.02

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5274561

Name:
2-[(2E)-2-(3-amino-5-oxo-1H-pyrazol-4-ylidene)hydrazino]-4,5,6,7-tetrahydroShow More⌵

Mol. Formula:
C12H14N6O2S

M.W.:
306.35

Type:
---

AlogP:
-0.10

Polar Surface Area:
134.96

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5289823

Name:

Mol. Formula:
C36H54N4O9

M.W.:
686.85

Type:
---

AlogP:
2.37

Polar Surface Area:
158.96

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5289422

Name:
ethyl 2-[(2E)-2-(3-amino-5-oxo-1H-pyrazol-4-ylidene)hydrazino]-4,5,6,7-tetrShow More⌵

Mol. Formula:
C14H17N5O3S

M.W.:
335.39

Type:
---

AlogP:
0.97

Polar Surface Area:
118.17

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5288082

Name:
(3R,3'R,5aS,5a'S,6R,6'R,8aS,8a'S,9R,9'R,10S,10'S,12S,12aR,12'S,12a'R)-10,10Show More⌵

Mol. Formula:
C30H46O9

M.W.:
550.69

Type:
---

AlogP:
5.42

Polar Surface Area:
83.07

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5286622

Name:
2-[(2E)-2-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)hydrazino]-4,5,6,7-tetrahydrShow More⌵

Mol. Formula:
C13H15N5O2S

M.W.:
305.36

Type:
---

AlogP:
1.00

Polar Surface Area:
108.94

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5268292

Name:
3-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-hydroxypropanamiShow More⌵

Mol. Formula:
C10H12N6O2S

M.W.:
280.31

Type:
---

AlogP:
0.04

Polar Surface Area:
118.95

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5272282

Name:
(3R,5aS,6R,8aS,9R,10S,12S,12aR)-3,6,9-trimethyl-10-(((3R,5aS,6R,8aS,9R,10R,Show More⌵

Mol. Formula:
C30H46O9

M.W.:
550.69

Type:
---

AlogP:
5.42

Polar Surface Area:
83.07

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5283850

Name:
3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-methylquinazolin-4(3H)-one

Mol. Formula:
C11H8N4OS2

M.W.:
276.35

Type:
---

AlogP:
1.83

Polar Surface Area:
60.67

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4572117

Name:
3-[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetoxy-1-isopropyl-3a-metShow More⌵

Mol. Formula:
C54H74BrO4P

M.W.:
898.06

2 activity values

2 unique targets

Type:
Unknown

AlogP:
11.83

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4533836

Name:
3-[(1S,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-acetoxy-1-isopropyl-3a-metShow More⌵

Mol. Formula:
C54H74BrO4P

M.W.:
898.06

2 activity values

2 unique targets

Type:
Unknown

AlogP:
11.83

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4470761

Name:
3-[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetoxy-3a-benzyloxycarbonShow More⌵

Mol. Formula:
C60H78IO4P

M.W.:
1021.16

2 activity values

2 unique targets

Type:
Unknown

AlogP:
13.40

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4462284

Name:
2-(2-(4-benzyl-1-oxophthalazin-2(1H)-yl)acetyl)-N-phenylhydrazinecarbothioaShow More⌵

Mol. Formula:
C24H21N5O2S

M.W.:
443.53

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
88.05

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4442516

Name:
3-[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetoxy-3a-carboxy-1-isoprShow More⌵

Mol. Formula:
C53H72BrO4P

M.W.:
884.03

2 activity values

2 unique targets

Type:
Unknown

AlogP:
11.74

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4097752

Name:
(E)-1,5-dimethyl-4-((2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyShow More⌵

Mol. Formula:
C24H21N7O

M.W.:
423.48

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
81.84

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4084756

Name:
5,7-dimethyl-N-phenyl-2-(phenylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamidShow More⌵

Mol. Formula:
C21H19N5O

M.W.:
357.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
71.32

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS