Compounds

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
99.77

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4793717

Name:
2,5-Dichloro-N-((4-((adamantylamino)methyl)-1H-1,2,3-triazol-5-yl)methyl)beShow More⌵

Mol. Formula:
C20H25Cl2N5O2S

M.W.:
470.43

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
99.77

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4788033

Name:
N-((4-((cyclohexylamino)methyl)-1H-1,2,3-triazol-5-yl)methyl)-4-iodobenzeneShow More⌵

Mol. Formula:
C16H22IN5O2S

M.W.:
475.36

Type:
Unknown

AlogP:
2.31

Polar Surface Area:
99.77

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4782956

Name:
N-((4-((tritylamino)methyl)-1H-1,2,3-triazol-5-yl)methyl)-4-iodobenzenesulfShow More⌵

Mol. Formula:
C29H26IN5O2S

M.W.:
635.53

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
99.77

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4782105

Name:
N-((4-(tert-butoxymethyl)-1H-1,2,3-triazol-5-yl)methyl)-4-methylbenzenesulfShow More⌵

Mol. Formula:
C15H22N4O3S

M.W.:
338.43

Type:
Unknown

AlogP:
1.91

Polar Surface Area:
96.97

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4760439

Name:
N-((4-((4-methoxybenzylthio)methyl)-1H-1,2,3-triazol-5-yl)methyl)-4-iodobenShow More⌵

Mol. Formula:
C18H19IN4O3S2

M.W.:
530.41

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
96.97

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4759266

Name:
N-((4-(aminomethyl)-1H-1,2,3-triazol-5-yl)methyl)benzenesulfonamide

Mol. Formula:
C10H13N5O2S

M.W.:
267.31

Type:
Unknown

AlogP:
-0.26

Polar Surface Area:
113.76

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4753298

Name:
(5-((4-iodophenylsulfonamido)methyl)-1H-1,2,3-triazol-4-yl)methyl acetate

Mol. Formula:
C12H13IN4O4S

M.W.:
436.23

Type:
Unknown

AlogP:
0.95

Polar Surface Area:
114.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4750008

Name:
N-((4-((adamantylamino)methyl)-1H-1,2,3-triazol-5-yl)methyl)-4-iodobenzenesShow More⌵

Mol. Formula:
C20H26IN5O2S

M.W.:
527.43

Type:
Unknown

AlogP:
2.95

Polar Surface Area:
99.77

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4748654

Name:
4-Iodo-N-((4-(isopropoxymethyl)-1H-1,2,3-triazol-5-yl)methyl)benzenesulfonaShow More⌵

Mol. Formula:
C13H17IN4O3S

M.W.:
436.28

Type:
Unknown

AlogP:
1.81

Polar Surface Area:
96.97

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4745925

Name:
N-((4-((benzylamino)methyl)-1H-1,2,3-triazol-5-yl)methyl)-4-iodobenzenesulfShow More⌵

Mol. Formula:
C17H18IN5O2S

M.W.:
483.34

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
99.77

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4743887

Name:
N-((4-((cyclohexylamino)methyl)-1H-1,2,3-triazol-5-yl)methyl)-4-methylbenzeShow More⌵

Mol. Formula:
C17H25N5O2S

M.W.:
363.49

Type:
Unknown

AlogP:
2.01

Polar Surface Area:
99.77

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4741814

Name:
N-((4-((adamantylamino)methyl)-1H-1,2,3-triazol-5-yl)methyl)-4-methylbenzenShow More⌵

Mol. Formula:
C21H29N5O2S

M.W.:
415.56

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
99.77

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4588675

Name:
methyl N6-acetyl-N2-(2-(4-((bis(pyridin-2-ylmethyl)amino)methyl)-1H-1,2,3-tShow More⌵

Mol. Formula:
C28H37N9O5

M.W.:
579.66

Type:
Unknown

AlogP:
0.35

Polar Surface Area:
173.33

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4587348

Name:
methyl (2-(4-(4-((bis(pyridin-2-ylmethyl)amino)methyl)-1H-1,2,3-triazol-1-yShow More⌵

Mol. Formula:
C30H34N8O4

M.W.:
570.65

6 unique targets

Type:
Unknown

AlogP:
1.98

Polar Surface Area:
144.23

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4582410

Name:
methyl N2-acetyl-N6-(2-(4-((bis(pyridin-2-ylmethyl)amino)methyl)-1H-1,2,3-tShow More⌵

Mol. Formula:
C29H39N9O5

M.W.:
593.69

Type:
Unknown

AlogP:
0.74

Polar Surface Area:
173.33

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4550113

Name:
methyl (2-(4-(4-((bis(pyridin-2-ylmethyl)amino)methyl)-1H-1,2,3-triazol-1-yShow More⌵

Mol. Formula:
C28H30N8O4

M.W.:
542.60

Type:
Unknown

AlogP:
1.21

Polar Surface Area:
144.23

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4541790

Name:
methyl N6-acetyl-N2-(2-(4-((bis(pyridin-2-ylmethyl)amino)methyl)-1H-1,2,3-tShow More⌵

Mol. Formula:
C29H39N9O5

M.W.:
593.69

Type:
Unknown

AlogP:
0.74

Polar Surface Area:
173.33

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4539669

Name:
N,N,N',N'-tetrapicolyl ethylenediamine

Mol. Formula:
C26H28N6

M.W.:
424.55

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
58.04

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4535624

Name:
2-amino-N-(2-((4-(4-((bis(pyridin-2-ylmethyl)amino)methyl)-1H-1,2,3-triazolShow More⌵

Mol. Formula:
C27H31N9O2

M.W.:
513.61