Compounds

ALA5195269

Name:
3-(6-(trifluoromethyl)imidazo[2,1-b]thiazol-5-yl)-1-(3,4,5-trimethoxyphenylShow More⌵

Mol. Formula:
C18H15F3N2O4S

M.W.:
412.39

4 activity values

4 unique targets

Type:
---

AlogP:
4.34

Polar Surface Area:
62.06

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5195207

Name:
3-(6-(4-methoxyphenyl)imidazo[2,1-b]thiazol-5-yl)-1-(3,4,5-trimethoxyphenylShow More⌵

Mol. Formula:
C24H22N2O5S

M.W.:
450.52

7 activity values

7 unique targets

Type:
---

AlogP:
4.99

Polar Surface Area:
71.29

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4083202

Name:
Bifidenone

Mol. Formula:
C21H26O5

M.W.:
358.43

31 activity values

16 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2415051

Name:
4-(4-benzylpiperazin-1-yl)-6-(4-nitrophenyl)-2-thioxo-1,2-dihydropyrimidineShow More⌵

Mol. Formula:
C22H20N6O2S

M.W.:
432.51

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
102.09

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2281804

Name:
2-(2-Fluoro-4-biphenylyl)-N-[2-[4-(trifluoromethyl)phenyl]-4-oxo-1,3-thiazoShow More⌵

Mol. Formula:
C25H20F4N2O2S

M.W.:
488.51

91 activity values

80 unique targets

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

NSC745887

Name:
Naphtho[2,3-f]quinoxaline-7,12-dione

Mol. Formula:
C16H8N2O2

M.W.:
260.25

234 activity values

60 unique targets

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
59.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA576577

Name:
N-(3-(2-(4-bromophenyl)hydrazinecarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[Show More⌵

Mol. Formula:
C23H23BrN4O4S2

M.W.:
563.50

14 activity values

9 unique targets

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
116.40

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA574217

Name:
N-(3-(2-phenylhydrazinecarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiopheShow More⌵

Mol. Formula:
C23H24N4O4S2

M.W.:
484.60

14 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
116.40

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA573057

Name:
2-[3-(Phenylsulfonyl)ureido]-5,6,7,8-tetrahydro-4Hcyclohepta[b]thiophene-3-Show More⌵

Mol. Formula:
C17H20N4O4S2

M.W.:
408.51

14 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
130.39

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA446125

Name:
fascaplysin A

Mol. Formula:
C43H50N2O5

M.W.:
674.88

58 activity values

56 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA406402

Name:
(1R,2R)-2-N-[16-(1'-pyridinium)-hexadecanoylamino]-1-(4''-nitrophenyl)-1,3-Show More⌵

Mol. Formula:
C30H46BrN3O4

M.W.:
592.62

175 activity values

56 unique targets

Type:
Small molecule

AlogP:
6.58

Polar Surface Area:
96.35

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA273022

Name:
(2S)-2-N-(tetradecylamino)-1-phenyl-3-propanol hydrochloride

Mol. Formula:
C23H42ClNO

M.W.:
384.05

175 activity values

56 unique targets

Type:
Small molecule

AlogP:
5.88

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA394707

Name:
2-amino-6-morpholin-4-yl-4-(4-pyridinyl)pyridine-3,5-dicarbonitrile

Mol. Formula:
C16H14N6O

M.W.:
306.33

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.31

Polar Surface Area:
111.85

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA240750

Name:
2-amino-6-morpholin-4-yl-4-(3-pyridinyl)pyridine-3,5-dicarbonitrile

Mol. Formula:
C16H14N6O

M.W.:
306.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.31

Polar Surface Area:
111.85

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA239894

Name:
2-amino-6-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)-pyridine-3,5-dicarbonitShow More⌵

Mol. Formula:
C20H21N5O4

M.W.:
395.42

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
126.65

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA221473

Name:
5-(naphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole

Mol. Formula:
C22H20N2O3

M.W.:
360.41

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
45.51

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS