Compounds

ALA5267411

Name:
furan-2-yl(4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl)methanone

Mol. Formula:
C15H15N5O2

M.W.:
297.32

Type:
---

AlogP:
1.28

Polar Surface Area:
66.88

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5267388

Name:
furan-2-yl(4-(2-(2-hydroxyethyl)-7,7-dimethyl-5,6,7,8-tetrahydrobenzo[4,5]tShow More⌵

Mol. Formula:
C23H28N4O3S

M.W.:
440.57

Type:
---

AlogP:
3.30

Polar Surface Area:
82.70

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5267293

Name:
{4-[7,7-Dimethyl-2-(hydroxymethyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-dShow More⌵

Mol. Formula:
C22H26N4O3S

M.W.:
426.54

Type:
---

AlogP:
3.25

Polar Surface Area:
82.70

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5282587

Name:
furan-2-yl(4-(2,7,7-trimethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyriShow More⌵

Mol. Formula:
C23H28N4O2S

M.W.:
424.57

Type:
---

AlogP:
4.46

Polar Surface Area:
62.47

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5282199

Name:
6-(4-(furan-2-carbonyl)piperazin-1-yl)-2,3,5-trimethylpyrimidin-4(3H)-one

Mol. Formula:
C16H20N4O3

M.W.:
316.36

Type:
---

AlogP:
0.95

Polar Surface Area:
71.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5281110

Name:
furan-2-yl(4-(2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-dShow More⌵

Mol. Formula:
C24H29N5O3S

M.W.:
467.60

Type:
---

AlogP:
2.96

Polar Surface Area:
74.94

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5281025

Name:
N-(3,4-dimethylisoxazol-5-yl)-4-((2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieShow More⌵

Mol. Formula:
C22H23N5O3S2

M.W.:
469.59

Type:
---

AlogP:
5.03

Polar Surface Area:
110.01

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5280091

Name:
(4-(7,7-dimethyl-2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,Show More⌵

Mol. Formula:
C26H33N5O3S

M.W.:
495.65

Type:
---

AlogP:
3.59

Polar Surface Area:
74.94

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5279450

Name:
furan-2-yl(4-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl)methShow More⌵

Mol. Formula:
C15H16N6O2

M.W.:
312.33

Type:
---

AlogP:
0.92

Polar Surface Area:
80.29

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5278819

Name:
furan-2-yl(4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)mShow More⌵

Mol. Formula:
C22H20N4O2S

M.W.:
404.50

Type:
---

AlogP:
4.22

Polar Surface Area:
62.47

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5278170

Name:
(4-(2,7-dimethylbenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)(furanShow More⌵

Mol. Formula:
C21H20N4O2S

M.W.:
392.48

Type:
---

AlogP:
4.02

Polar Surface Area:
62.47

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5277497

Name:
5-(4-(furan-2-carbonyl)piperazin-1-yl)pyrazin-2(1H)-one

Mol. Formula:
C13H14N4O3

M.W.:
274.28

Type:
---

AlogP:
0.33

Polar Surface Area:
82.44

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5277150

Name:
(6,8-dimethyl-2-(pyridin-2-yl)quinolin-4-yl)(4-(furan-2-carbonyl)piperazin-Show More⌵

Mol. Formula:
C26H24N4O3

M.W.:
440.50

Type:
---

AlogP:
4.10

Polar Surface Area:
79.54

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5275947

Name:
furan-2-yl(4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)methanone

Mol. Formula:
C21H18N4O2S

M.W.:
390.47

Type:
---

AlogP:
3.91

Polar Surface Area:
62.47

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5275934

Name:
5-phenyl-3-(4-(1-(p-tolyl)cyclopropane-1-carbonyl)piperazin-1-yl)oxazol-2(3Show More⌵

Mol. Formula:
C24H25N3O3

M.W.:
403.48

Type:
---

AlogP:
2.93

Polar Surface Area:
58.69

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5275607

Name:
N-(3,4-dimethylisoxazol-5-yl)-4-((2,7,7-trimethyl-5,6,7,8-tetrahydrobenzo[4Show More⌵

Mol. Formula:
C24H27N5O3S2

M.W.:
497.65

Type:
---

AlogP:
5.66

Polar Surface Area:
110.01

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5273189

Name:
furan-2-yl(4-(2,7,7-trimethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyriShow More⌵

Mol. Formula:
C22H26N4O2S

M.W.:
410.54

Type:
---

AlogP:
4.07

Polar Surface Area:
62.47

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5273001

Name:
furan-2-yl(4-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)piperShow More⌵

Mol. Formula:
C19H20N4O2S

M.W.:
368.46

Type:
---

AlogP:
3.13

Polar Surface Area:
62.47

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5289588

Name:
furan-2-yl(4-(2-(2-methoxyethyl)-7,7-dimethyl-5,6,7,8-tetrahydrobenzo[4,5]tShow More⌵

Mol. Formula:
C24H30N4O3S

M.W.:
454.60

Type:
---

AlogP:
3.95

Polar Surface Area:
71.70

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5289557

Name:
furan-2-yl(4-(6-hydroxy-2,5-dimethylpyrimidin-4-yl)piperazin-1-yl)methanone

Mol. Formula:
C15H18N4O3

M.W.:
302.33

Type:
---

AlogP:
1.35

Polar Surface Area:
82.70

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS