Compounds

DO34

Name:
tert-butyl 3-benzyl-4-(4-(4-(trifluoromethoxy)phenyl)-1H-1,2,3-triazole-1-cShow More⌵

Mol. Formula:
C26H28F3N5O4

M.W.:
531.54

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.98

Polar Surface Area:
89.79

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3966016

Name:
(4-([1,1'-Biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(2-ethylpiperidin-1-yl)methShow More⌵

Mol. Formula:
C22H24N4O

M.W.:
360.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3263575

Name:
rac-(4-(2'-Methoxy-[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(2-phenylpipShow More⌵

Mol. Formula:
C27H26N4O2

M.W.:
438.53

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.82

Polar Surface Area:
60.25

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3263574

Name:
rac-(2-Benzylpiperidin-1-yl)(4-(4'-(piperidine-1-carbonyl)-[1,1'-biphenyl]-Show More⌵

Mol. Formula:
C33H35N5O2

M.W.:
533.68

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.30

Polar Surface Area:
71.33

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3263573

Name:
rac-(2-Benzylpiperidin-1-yl)(4-(3'-(hydroxymethyl)-[1,1'-biphenyl]-4-yl)-1HShow More⌵

Mol. Formula:
C28H28N4O2

M.W.:
452.56

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
71.25

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3263571

Name:
rac-(4-(4'-Methoxy-[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(2-phenylpipShow More⌵

Mol. Formula:
C27H26N4O2

M.W.:
438.53

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.82

Polar Surface Area:
60.25

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

KT-109

Name:
SID125269108

Mol. Formula:
C27H26N4O

M.W.:
422.53

19 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.68

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2137646

Name:
SID125269102

Mol. Formula:
C22H21F3N4O2

M.W.:
430.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
60.25

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2136920

Name:
SID125269120

Mol. Formula:
C28H28N4O2

M.W.:
452.56

12 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
60.25

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2134713

Name:
SID125269115

Mol. Formula:
C28H25F3N4O

M.W.:
490.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.70

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS