Compounds

Type:
---

AlogP:
4.06

Polar Surface Area:
55.56

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5198220

Name:
Methyl (S)-2-(dibenzylamino)-3-(4-nitrophenyl)propanoate

Mol. Formula:
C24H24N2O4

M.W.:
404.47

18 activity values

Type:
---

AlogP:
4.38

Polar Surface Area:
72.68

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5205458

Name:
Methyl dibenzyl-L-phenylalaninate

Mol. Formula:
C24H25NO2

M.W.:
359.47

Type:
---

AlogP:
4.47

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5204377

Name:
3-((1S,3S)-1-(4-fluorophenyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-Show More⌵

Mol. Formula:
C19H19FN2O5

M.W.:
374.37

Type:
---

AlogP:
1.43

Polar Surface Area:
118.89

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5203685

Name:
(5R,10aS)-5-(4-fluorophenyl)-7,8-dihydroxy-2-(3-(trifluoromethyl)phenyl)-10Show More⌵

Mol. Formula:
C24H16F4N2O4

M.W.:
472.39

Type:
---

AlogP:
4.74

Polar Surface Area:
81.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5203550

Name:
(S)-2-(4-fluorobenzyl)-7,8-dihydroxy-2,3,10,10a-tetrahydroimidazo[1,5-b]isoShow More⌵

Mol. Formula:
C18H17FN2O3

M.W.:
328.34

Type:
---

AlogP:
1.96

Polar Surface Area:
64.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5208212

Name:
Methyl (S)-2-(dibenzylamino)-3-(3,4-dihydroxyphenyl)propanoate

Mol. Formula:
C24H25NO4

M.W.:
391.47

17 activity values

Type:
---

AlogP:
3.88

Polar Surface Area:
70.00

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5206192

Name:
(5S,10aR)-5-(4-fluorophenyl)-7,8-dihydroxy-2-(3-(trlfluoromethyl)phenyl)-10Show More⌵

Mol. Formula:
C24H16F4N2O4

M.W.:
472.39

Type:
---

AlogP:
4.74

Polar Surface Area:
81.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5193818

Name:
(1R,3S)-N-(4-fluorobenzyl)-1-(4-fluorophenyl)-6,7-dihydroxy-1,2,3,4-tetrahyShow More⌵

Mol. Formula:
C23H20F2N2O3

M.W.:
410.42

Type:
---

AlogP:
3.30

Polar Surface Area:
81.59

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5193429

Name:
Methyl (S)-3-(4-chlorophenyl)-2-(dibenzylamino)propanoate

Mol. Formula:
C24H24ClNO2

M.W.:
393.91

Type:
---

AlogP:
5.13

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5192869

Name:
(S)-2-(4-fluorobenzyl)-7,8-dihydroxy-10,10a-dihydroimidazol[1,5-b]isoquinolShow More⌵

Mol. Formula:
C18H15FN2O4

M.W.:
342.33

Type:
---

AlogP:
2.13

Polar Surface Area:
81.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5182352

Name:
Methyl (S)-2-(dibenzylamino)-3-(p-tolyl)propanoate

Mol. Formula:
C25H27NO2

M.W.:
373.50

Type:
---

AlogP:
4.78

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5180147

Name:
(S)-2-(4-fluorobenzyl)-6,7-dihydroxy-2,3,10,10a-tetrahydroimidazo[1,5-b]isoShow More⌵

Mol. Formula:
C18H17FN2O3

M.W.:
328.34

Type:
---

AlogP:
1.96

Polar Surface Area:
64.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5179627

Name:
3-((1R,3S)-1-(4-fluorophenyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-Show More⌵

Mol. Formula:
C19H19FN2O5

M.W.:
374.37

Type:
---

AlogP:
1.43

Polar Surface Area:
118.89

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5176697

Name:
(5R,10aS)-2-(4-fluorobenzyl)-5-(4-fluorophenyl)-7,8-dihydroxy-10,10a-dihydrShow More⌵

Mol. Formula:
C24H18F2N2O4

M.W.:
436.41

Type:
---

AlogP:
3.85

Polar Surface Area:
81.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5176290

Name:
(S)-N-(4-fluorobenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboShow More⌵

Mol. Formula:
C17H17FN2O3

M.W.:
316.33

Type:
---

AlogP:
1.57

Polar Surface Area:
81.59

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5173566

Name:
(5S,10aR)-2-(4-fluorobenzyl)-5-(4-fluorophenyl)-7,8-dihydroxy-10,10a-dihydrShow More⌵

Mol. Formula:
C24H18F2N2O4

M.W.:
436.41

Type:
---

AlogP:
3.85

Polar Surface Area:
81.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5172362

Name:
(1S,3S)-N-(4-fluorobenzyl)-1-(4-fluorophenyl)-6,7-dihydroxy-1,2,3,4-tetrahyShow More⌵

Mol. Formula:
C23H20F2N2O3

M.W.:
410.42

Type:
---

AlogP:
3.30

Polar Surface Area:
81.59

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5169807

Name:
Methyl dibenzyl-L-tyrosinate

Mol. Formula:
C24H25NO3

M.W.:
375.47

Type:
---

AlogP:
4.18

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4762439

Name:
Cannabitwinol

Mol. Formula:
C43H60O4

M.W.:
640.95

16 activity values