Compounds

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
30.49

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA509634

Name:
3,4-Dihydro-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-isopropylpropyl]-2H-(3R)-1,Show More⌵

Mol. Formula:
C22H29NO2S2

M.W.:
403.61

Type:
Small molecule

AlogP:
5.20

Polar Surface Area:
30.49

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA452552

Name:
3,4-Dihydro-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-n-propylpropyl]-2H-(3R)-1,5Show More⌵

Mol. Formula:
C22H29NO2S2

M.W.:
403.61

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
30.49

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA509130

Name:
3,4-Dihydro-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-ethylpropyl]-2H-(3R)-1,5-beShow More⌵

Mol. Formula:
C21H27NO2S2

M.W.:
389.59

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
30.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA452551

Name:
3,4-Dihydro-N-[3-[(2-methoxyphenyl)thio]-2-methylenepropyl]-2H-(3R)-1,5-benShow More⌵

Mol. Formula:
C20H23NO2S2

M.W.:
373.54

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
30.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA452550

Name:
3,4-Dihydro-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-phenylcarbonyloxypropyl]-2HShow More⌵

Mol. Formula:
C26H27NO4S2

M.W.:
481.64

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
56.79

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA520405

Name:
3,4-Dihydro-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-methylcarbonyloxypropyl]-2HShow More⌵

Mol. Formula:
C21H25NO4S2

M.W.:
419.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
56.79

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA488296

Name:
3,4-Dihydro-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-n-propoxypropyl]-2H-(3R)-1,Show More⌵

Mol. Formula:
C22H29NO3S2

M.W.:
419.61

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
39.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA519718

Name:
3,4-Dihydro-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-ethoxypropyl]-2H-(3R)-1,5-bShow More⌵

Mol. Formula:
C21H27NO3S2

M.W.:
405.59

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
39.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA486256

Name:
3,4-Dihydro-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-methoxypropyl]-2H-(3R)-1,5-Show More⌵

Mol. Formula:
C20H25NO3S2

M.W.:
391.56

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
39.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA488309

Name:
3,4-Dihydro-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-fluoropropyl]-2H-(3R)-1,5-bShow More⌵

Mol. Formula:
C19H22FNO2S2

M.W.:
379.52

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
30.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA486436

Name:
3,4-Dihydro-N-[3-[(2-methoxyphenyl)thio]-propyl]-2H-(3R)-1,5-benzoxathiepinShow More⌵

Mol. Formula:
C19H23NO2S2

M.W.:
361.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
30.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA488477

Name:
3,4-Dihydro-N-[(2R)-3-[(2-methoxyphenyl)thio]-2-methylpropyl]-2H-(3S)-1,5-bShow More⌵

Mol. Formula:
C20H25NO2S2

M.W.:
375.56

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
30.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA488304

Name:
3,4-Dihydro-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-methylpropyl]-2H-(3S)-1,5-bShow More⌵

Mol. Formula:
C20H25NO2S2

M.W.:
375.56

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
30.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA520408

Name:
3,4-Dihydro-N-[(2R)-3-[(2-methoxyphenyl)thio]-2-methylpropyl]-2H-(3R)-1,5-bShow More⌵

Mol. Formula:
C20H25NO2S2

M.W.:
375.56

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
30.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA488303

Name:
3,4-Dihydro-N-[(2R)-3-[(2-methoxyphenyl)thio]-2-hydroxypropyl]-2H-(3R)-1,5-Show More⌵

Mol. Formula:
C19H23NO3S2

M.W.:
377.53

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
50.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA529444

Name:
3,4-Dihydro-N-[(2S)-3-[(2-methoxyphenyl)thio]-2-hydroxypropyl]-2H-(3R)-1,5-Show More⌵

Mol. Formula:
C19H23NO3S2

M.W.:
377.53

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
50.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA471370

Name:
3,4-Dihydro-N-[3-[(2-methoxyphenyl)thio]-2(RS)-hydroxypropyl]-2H-(3S)-1,5-bShow More⌵

Mol. Formula:
C19H23NO3S2

M.W.:
377.53

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
50.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA511487

Name:
3,4-Dihydro-N-[3-[(2-methoxyphenyl)thio]-2(RS)-hydroxypropyl]-2H-(3R)-1,5-bShow More⌵

Mol. Formula:
C19H23NO3S2

M.W.:
377.53