Compounds

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
112.41

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2430514

Name:
4-(4-((4-Formyl-2-methoxyphenoxy)methyl)-1H-1,2,3-triazol-1-yl)-N-phenethylShow More⌵

Mol. Formula:
C25H24N4O5S

M.W.:
492.56

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
112.41

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2430513

Name:
Methyl 2-((1-(4-(N-phenethylsulfamoyl)phenyl)-1H-1,2,3-triazol-4-yl)methoxyShow More⌵

Mol. Formula:
C25H24N4O5S

M.W.:
492.56

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
112.41

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2430512

Name:
N-Phenethyl-4-(4-((o-tolyloxy)methyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamShow More⌵

Mol. Formula:
C24H24N4O3S

M.W.:
448.55

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
86.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2430511

Name:
4-(4-((4-Nitrophenoxy)methyl)-1H-1,2,3-triazol-1-yl)-N-phenethylbenzenesulfShow More⌵

Mol. Formula:
C23H21N5O5S

M.W.:
479.52

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
129.25

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2430510

Name:
4-(4-((4-Formylphenoxy)methyl)-1H-1,2,3-triazol-1-yl)-N-phenethylbenzenesulShow More⌵

Mol. Formula:
C24H22N4O4S

M.W.:
462.53

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
103.18

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2430509

Name:
N-Phenethyl-4-(4-((p-tolyloxy)methyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamShow More⌵

Mol. Formula:
C24H24N4O3S

M.W.:
448.55

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
86.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2430508

Name:
4-(4-((Naphthalen-2-yloxy)methyl)-1H-1,2,3-triazol-1-yl)-N-phenethylbenzeneShow More⌵

Mol. Formula:
C27H24N4O3S

M.W.:
484.58

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
86.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2430507

Name:
4-(4-((Naphthalen-1-yloxy)methyl)-1H-1,2,3-triazol-1-yl)-N-phenethylbenzeneShow More⌵

Mol. Formula:
C27H24N4O3S

M.W.:
484.58

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
86.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2430506

Name:
N-Phenethyl-4-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide

Mol. Formula:
C23H22N4O3S

M.W.:
434.52

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
86.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2430505

Name:
N-Phenethyl-4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide

Mol. Formula:
C22H20N4O2S

M.W.:
404.50

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
76.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2430504

Name:
4-Azido-N-(3,4-dimethoxyphenethyl)benzenesulfonamide

Mol. Formula:
C16H18N4O4S

M.W.:
362.41

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
113.39

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2430503

Name:
4-Azido-N-phenethylbenzenesulfonamide

Mol. Formula:
C14H14N4O2S

M.W.:
302.36

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
94.93

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2430502

Name:
4-Amino-N-(3,4-dimethoxyphenethyl)benzenesulfonamide

Mol. Formula:
C16H20N2O4S

M.W.:
336.41

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
90.65

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2430501

Name:
N-(3,4-Dimethoxyphenethyl)-4-(4-((4-nitrophenoxy)methyl)-1H-1,2,3-triazol-1Show More⌵

Mol. Formula:
C25H25N5O7S

M.W.:
539.57

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
147.71

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2430500

Name:
N-(3,4-Dimethoxyphenethyl)-4-(4-((4-formylphenoxy)methyl)-1H-1,2,3-triazol-Show More⌵

Mol. Formula:
C26H26N4O6S

M.W.:
522.58

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
121.64

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2430499

Name:
N-(3,4-Dimethoxyphenethyl)-4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonaShow More⌵

Mol. Formula:
C24H24N4O4S

M.W.:
464.55

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
95.34

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2430498

Name:
4-(4-(((2-Oxo-2H-chromen-4-yl)oxy)methyl)-1H-1,2,3-triazol-1-yl)-N-phenethyShow More⌵

Mol. Formula:
C26H22N4O5S

M.W.:
502.55