Compounds

Type:
Small molecule

AlogP:
1.58

Polar Surface Area:
21.26

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA5094291

Name:
(S)-N-methyl-1-(7-methyl-4,7-dihydro-5H-thieno[2,3
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Mol. Formula:
C10H15NOS

M.W.:
197.30

Type:
Unknown

AlogP:
1.76

Polar Surface Area:
21.26

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA5094122

Name:
(R/S)-1-(4,7-dihydro-5H-thieno[2,3-c]pyran-7-yl)-N
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Cas Number:
1310426-29-9

Mol. Formula:
C9H13NOS

M.W.:
183.28

Type:
Unknown

AlogP:
1.58

Polar Surface Area:
21.26

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA5094071

Name:
(S)-1-(4,7-dihydro-5H-thieno[2,3-c]pyran-7-yl)-N,N
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Mol. Formula:
C10H15NOS

M.W.:
197.30

Type:
Unknown

AlogP:
1.92

Polar Surface Area:
12.47

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA5093297

Name:
(R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-m
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Mol. Formula:
C9H13NOS

M.W.:
183.28

Type:
Unknown

AlogP:
1.58

Polar Surface Area:
21.26

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA5088853

Name:
(S)-1-((4,7-dihydro-5H-thieno[2,3-c]pyran-7-yl)met
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Mol. Formula:
C12H17NOS

M.W.:
223.34

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
12.47

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA5083638

Name:
(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)methanamin
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Mol. Formula:
C9H13NOS

M.W.:
183.28

Type:
Unknown

AlogP:
1.58

Polar Surface Area:
21.26

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA5082760

Name:
(S)-(4,7-dihydro-5H-thieno[2,3-c]pyran-7-yl)methan
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Cas Number:
1310426-31-3

Mol. Formula:
C8H11NOS

M.W.:
169.25

Type:
Unknown

AlogP:
1.32

Polar Surface Area:
35.25

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA5080235

Name:
(R)-1-(4,7-dihydro-5H-thieno[2,3-c]pyran-7-yl)-N-m
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Mol. Formula:
C9H13NOS

M.W.:
183.28

Type:
Unknown

AlogP:
1.58

Polar Surface Area:
21.26

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA5079591

Name:
(S)-2-(4,7-dihydro-5H-thieno[2,3-c]pyran-7-yl)etha
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Mol. Formula:
C9H13NOS

M.W.:
183.28

Type:
Unknown

AlogP:
1.71

Polar Surface Area:
35.25

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA5077361

Name:
(R/S)-(4,6,7,8-tetrahydrothieno[3,2-c]oxepin-4-yl)
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Mol. Formula:
C9H13NOS

M.W.:
183.28

Type:
Unknown

AlogP:
1.71

Polar Surface Area:
35.25

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA5076544

Name:
(R/S)-N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]o
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Mol. Formula:
C10H15NOS

M.W.:
197.30

Type:
Unknown

AlogP:
1.97

Polar Surface Area:
21.26

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA4172905

Name:
N-{Imino-[4-(4-methoxyphenyl)piperazin-1-yl]methyl
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Mol. Formula:
C13H22Cl2N6O

M.W.:
349.27

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.03

Polar Surface Area:
103.96

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3781694

Name:
(S)-4-(3-Fluoro-2-methyl-phenyl)-4,5-dihydro-oxazo
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Cas Number:
1357266-05-7

Mol. Formula:
C10H11FN2O

M.W.:
194.21

19 activity values

12 unique targets

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
47.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA3781675

Name:
(S)-4-(4-Chloro-2-methyl-phenyl)-4,5-dihydro-oxazo
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Mol. Formula:
C10H11ClN2O

M.W.:
210.66

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.03

Polar Surface Area:
47.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA3781461

Name:
(S)-4-o-Tolyl-4,5-dihydro-oxazol-2-ylamine

Mol. Formula:
C10H12N2O

M.W.:
176.22

5 activity values

Type:
Small molecule

AlogP:
1.38

Polar Surface Area:
47.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA3781753

Name:
(R/S)-4-(3-Phenoxy-phenyl)-4,5-dihydro-oxazol-2-yl
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Mol. Formula:
C15H14N2O2

M.W.:
254.29

4 activity values

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
56.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA3781546

Name:
(S)-4-Biphenyl-4-yl-4,5-dihydro-oxazol-2-ylamine

Mol. Formula:
C15H14N2O

M.W.:
238.29

5 activity values

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
47.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.87

DETAILS

ALA3779948

Name:
(R)-4-(4-Bromo-phenyl)-4,5-dihydro-oxazol-2-ylamin
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Mol. Formula:
C9H9BrN2O

M.W.:
241.09

3 activity values