Compounds

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4559976

Name:
(5-(Cyclohexyl(phenyl)methyl)thiophene-2-carbonyl)
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Mol. Formula:
C24H32N4O3S

M.W.:
456.61

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4559463

Name:
(5-(Phenyl(pyridine-2-yl)methyl)thiophene-2-carbon
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Mol. Formula:
C23H25N5O3S

M.W.:
451.55

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
141.19

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4558167

Name:
(5-(Bis(4-chlorophenyl)methyl)thiophene-2-carbonyl
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Mol. Formula:
C24H24Cl2N4O3S

M.W.:
519.45

14 activity values

3 unique targets

Type:
Unknown

AlogP:
4.68

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4556174

Name:
(5-Benzhydryl-3-phenylthiophene-2-carbonyl)-L-argi
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Mol. Formula:
C30H30N4O3S

M.W.:
526.66

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4530755

Name:
(5-(1-Phenylpropyl)thiophene-2-carbonyl)-L-arginin
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Mol. Formula:
C20H26N4O3S

M.W.:
402.52

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4576800

Name:
(5-benzhydrylthiophene-2-carbonyl)-L-arginine

Cas Number:
1037092-93-5

Mol. Formula:
C24H26N4O3S

M.W.:
450.56

23 activity values

4 unique targets

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4572633

Name:
(5-(2-Methyl-1-phenylprop-1-en-1-yl)thiophene-2-ca
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Mol. Formula:
C21H26N4O3S

M.W.:
414.53

Type:
Unknown

AlogP:
3.04

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4459830

Name:
(5-(Bis(3-chlorophenyl)methyl)thiophene-2-carbonyl
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Mol. Formula:
C24H24Cl2N4O3S

M.W.:
519.45

Type:
Unknown

AlogP:
4.68

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4459627

Name:
(5-(Bis(4-chlorophenyl)methyl)-3-methylthiophene-2
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Mol. Formula:
C25H26Cl2N4O3S

M.W.:
533.48

34 activity values

4 unique targets

Type:
Unknown

AlogP:
4.99

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4472490

Name:
(5-(Bis(4-methoxyphenyl)methyl)thiophene-2-carbony
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Mol. Formula:
C26H30N4O5S

M.W.:
510.62

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
146.76

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4472196

Name:
(5-Benzhydryl-4-methylthiophene-2-carbonyl)-L-argi
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Mol. Formula:
C25H28N4O3S

M.W.:
464.59

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4472149

Name:
(5-(Bis(4-fluorophenyl)methyl)thiophene-2-carbonyl
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Mol. Formula:
C24H24F2N4O3S

M.W.:
486.54

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4470864

Name:
(5-Benzhydryl-3-methylthiophene-2-carbonyl)-L-argi
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Mol. Formula:
C25H28N4O3S

M.W.:
464.59

21 activity values

4 unique targets

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4470384

Name:
(5-(Bis(4-hydroxyphenyl)methyl)-3-methylthiophene-
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Mol. Formula:
C25H28N4O5S

M.W.:
496.59

2 unique targets

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
168.76

HBA:
6

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4473192

Name:
(5-(Bis(4-fluorophenyl)methyl)-3-methylthiophene-2
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Mol. Formula:
C25H26F2N4O3S

M.W.:
500.57

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4551118

Name:
(3-Benzhydryl-4,5,6,7-tetrahydrobenzo[c]thiophene-
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Mol. Formula:
C28H32N4O3S

M.W.:
504.66

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4551058

Name:
(5-Benzhydryl-4-phenylthiophene-2-carbonyl)-L-argi
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Mol. Formula:
C30H30N4O3S

M.W.:
526.66

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4519060

Name:
(5-Cyclododecylthiophene-2-carbonyl)-L-arginine

Mol. Formula:
C23H38N4O3S

M.W.:
450.65

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4562412

Name:
(5-(1,3-Diphenylpropan-2-yl)thiophene-2-carbonyl)-
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Mol. Formula:
C26H30N4O3S

M.W.:
478.62