Compounds

Type:
---

AlogP:
1.56

Polar Surface Area:
114.96

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5206882

Name:
2-chloro-1-(4-(4-(methylamino)-6-(((3-(methylsulfonyl)phenyl)(phenyl)methylShow More⌵

Mol. Formula:
C24H28ClN7O3S

M.W.:
530.05

Type:
---

AlogP:
2.41

Polar Surface Area:
120.42

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5094418

Name:
8-(2-Chloroacetyl)-4-((5-(4-methoxyphenyl)furan-2-yl)methyl)-1-thia-4,8-diaShow More⌵

Mol. Formula:
C21H23ClN2O4S

M.W.:
434.95

Type:
Unknown

AlogP:
3.59

Polar Surface Area:
62.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5093799

Name:
4-((5-(biphenyl-4-yl)furan-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaShow More⌵

Mol. Formula:
C26H25ClN2O3S

M.W.:
481.02

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
53.76

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5092713

Name:
8-(2-Chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5Show More⌵

Mol. Formula:
C20H21ClN2O3S

M.W.:
404.92

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
53.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5091471

Name:
4-(5-((8-(2-Chloroacetyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methylShow More⌵

Mol. Formula:
C21H20ClN3O3S

M.W.:
429.93

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
77.55

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5088188

Name:
8-Acetyl-4-((5-(naphthalen-1-yl)furan-2-yl)methyl)-1-thia-4,8-diazaspiro[4.Show More⌵

Mol. Formula:
C24H24N2O3S

M.W.:
420.53

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
53.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5085989

Name:
8-(2-Chloroacetyl)-4-((5-chlorofuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5Show More⌵

Mol. Formula:
C14H16Cl2N2O3S

M.W.:
363.27

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
53.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5084012

Name:
8-(2-chloroacetyl)-4-(p-tolyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

Mol. Formula:
C16H19ClN2O2S

M.W.:
338.86

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5083030

Name:
8-Acryloyl-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3Show More⌵

Mol. Formula:
C21H22N2O3S

M.W.:
382.49

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
53.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5082848

Name:
8-(2-Chloroacetyl)-4-((5-(4-(trifluoromethyl)phenyl)furan-2-yl)methyl)-1-thShow More⌵

Mol. Formula:
C21H20ClF3N2O3S

M.W.:
472.92

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
53.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5082553

Name:
4-benzyl-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

Mol. Formula:
C16H19ClN2O2S

M.W.:
338.86

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5082500

Name:
8-(2-Chloroacetyl)-4-((5-(naphthalen-2-yl)furan-2-yl)methyl)-1-thia-4,8-diaShow More⌵

Mol. Formula:
C24H23ClN2O3S

M.W.:
454.98

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
53.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5082379

Name:
8-(2-Chloropropanoyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[Show More⌵

Mol. Formula:
C21H23ClN2O3S

M.W.:
418.95

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
53.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5080210

Name:
8-(2-chloroacetyl)-4-(4-chlorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

Mol. Formula:
C15H16Cl2N2O2S

M.W.:
359.28

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5079908

Name:
8-(2-Chloroacetyl)-4-((5-(4-(methylsulfonyl)phenyl)furan-2-yl)methyl)-1-thiShow More⌵

Mol. Formula:
C21H23ClN2O5S2

M.W.:
483.01

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5079660

Name:
8-(2-Chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro-[4.5]decan-3-Show More⌵

Mol. Formula:
C14H17ClN2O3S

M.W.:
328.82

12 activity values

3 unique targets

Type:
Unknown

AlogP:
1.91

Polar Surface Area:
53.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5078907

Name:
8-(2-chloroacetyl)-4-(m-tolyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

Mol. Formula:
C16H19ClN2O2S

M.W.:
338.86

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5078211

Name:
8-(2-Chloroacetyl)-4-(2-(5-phenylfuran-2-yl)ethyl)-1-thia-4,8-diazaspiro[4.Show More⌵

Mol. Formula:
C21H23ClN2O3S

M.W.:
418.95

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
53.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5075302

Name:
8-(2-Chloroacetyl)-4-((5-(p-tolyl)furan-2-yl)methyl)-1-thia-4,8-diazaspiro[Show More⌵

Mol. Formula:
C21H23ClN2O3S

M.W.:
418.95