Compounds

ALA4593948

Name:
(S)-N-hydroxy-3-phenyl-2-(4-phenyl-5-(phenylethynyl)-1H-1,2,3-triazol-1-yl)Show More⌵

Mol. Formula:
C25H20N4O2

M.W.:
408.46

9 activity values

9 unique targets

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4553371

Name:
(S)-3-phenyl-2-(4-phenyl-5-(phenylethynyl)-1H-1,2,3-triazol-1-yl)propanoic Show More⌵

Mol. Formula:
C25H19N3O2

M.W.:
393.45

9 activity values

9 unique targets

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4522463

Name:
(S)-N-methyl-3-phenyl-2-(4-phenyl-5-(phenylethynyl)-1H-1,2,3-triazol-1-yl)pShow More⌵

Mol. Formula:
C26H22N4O

M.W.:
406.49

9 activity values

9 unique targets

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4518367

Name:
(S)-methyl 3-phenyl-2-(4-phenyl-5-(phenylethynyl)-1H-1,2,3-triazol-1-yl)proShow More⌵

Mol. Formula:
C26H21N3O2

M.W.:
407.47

9 activity values

9 unique targets

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3675763

Name:
US8748458, 11

Mol. Formula:
C18H24N4O3

M.W.:
344.42

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
87.58

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2323287

Name:
Octanethioic acid S-[(E)-4-((10S,13S)-10-isopropyl-8,11,15-trioxo-12-oxa-19Show More⌵

Mol. Formula:
C27H39N7O5S2

M.W.:
605.79

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
158.06

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA403323

Name:
3-(4-(((2-(1H-indol-2-yl)ethyl)(2-hydroxyethyl)amino)methyl)phenyl)-N-hydroShow More⌵

Mol. Formula:
C22H25N3O3

M.W.:
379.46

9 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
88.59

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA272980

Name:
N-(2-aminophenyl)-4-((4-(pyridin-3-yl)pyrimidin-2-ylamino)methyl)benzamide

Mol. Formula:
C23H20N6O

M.W.:
396.45

249 activity values

48 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
105.82

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA402363

Name:
azumamide E

Mol. Formula:
C27H38N4O6

M.W.:
514.62

27 activity values

15 unique targets

Type:
Small molecule

AlogP:
1.31

Polar Surface Area:
153.70

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS