Compounds

ALA5267581

Name:
3-(7-phenyl-6-(4-(phenylthio)phenyl)-2,3-dihydro-1H-pyrrolizin-5-yl)acrylicShow More⌵

Mol. Formula:
C28H23NO2S

M.W.:
437.56

Type:
---

AlogP:
7.02

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5267425

Name:
3-(7-phenyl-6-(4-(phenylsulfinyl)phenyl)-2,3-dihydro-1H-pyrrolizin-5-yl)acrShow More⌵

Mol. Formula:
C28H23NO3S

M.W.:
453.56

Type:
---

AlogP:
6.03

Polar Surface Area:
65.29

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5267261

Name:
3-(6,7-diphenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acrylic acid

Mol. Formula:
C22H19NO2

M.W.:
329.40

Type:
---

AlogP:
4.87

Polar Surface Area:
42.23

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5266357

Name:
N-[4-(4-chlorophenyl)-3-cyano-2-thienyl]-2-morpholino-acetamide

Mol. Formula:
C17H16ClN3O2S

M.W.:
361.85

Type:
---

AlogP:
3.21

Polar Surface Area:
65.36

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5279121

Name:
3-(7-phenyl-6-(4-(3-(trifluoromethyl)phenylamino)phenyl)-2,3-dihydro-1H-pyrShow More⌵

Mol. Formula:
C29H23F3N2O2

M.W.:
488.51

Type:
---

AlogP:
7.63

Polar Surface Area:
54.26

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5278496

Name:
N-(4-(7-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizin-6-yl)phenyl)methanesulfoShow More⌵

Mol. Formula:
C20H19ClN2O2S

M.W.:
386.90

Type:
---

AlogP:
4.79

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5277985

Name:
3-(6-(biphenyl-4-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acrylic acid

Mol. Formula:
C28H23NO2

M.W.:
405.50

Type:
---

AlogP:
6.53

Polar Surface Area:
42.23

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5277540

Name:
3-(6-(4-(benzylsulfinyl)phenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acrShow More⌵

Mol. Formula:
C29H25NO3S

M.W.:
467.59

Type:
---

AlogP:
6.17

Polar Surface Area:
65.29

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5275767

Name:
(R)-2-cycloheptyl-2-(4-(quinolin-2-ylmethoxy)phenyl)acetic acid

Mol. Formula:
C25H27NO3

M.W.:
389.50

Type:
---

AlogP:
5.95

Polar Surface Area:
59.42

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5274231

Name:
7-phenyl-6-(thiophen-2-yl)-2,3-dihydro-1H-pyrrolizine

Mol. Formula:
C17H15NS

M.W.:
265.38

Type:
---

AlogP:
4.83

Polar Surface Area:
4.93

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5273998

Name:
3-(6-(4-(4-chlorophenylamino)phenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yShow More⌵

Mol. Formula:
C28H23ClN2O2

M.W.:
454.96

Type:
---

AlogP:
7.26

Polar Surface Area:
54.26

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5272896

Name:
2-(3-methylbut-2-en-1-yl)-5-phenethylbenzene-1,3-diol

Mol. Formula:
C19H22O2

M.W.:
282.38

Type:
---

AlogP:
4.39

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5291315

Name:
3-(6-(4-(benzylsulfonyl)phenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acrShow More⌵

Mol. Formula:
C29H25NO4S

M.W.:
483.59

Type:
---

AlogP:
5.84

Polar Surface Area:
76.37

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5289357

Name:
3-(6-(4-aminophenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acrylic acid

Mol. Formula:
C22H20N2O2

M.W.:
344.41

Type:
---

AlogP:
4.45

Polar Surface Area:
68.25

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5287893

Name:
3-(7-phenyl-6-(4-(phenylamino)phenyl)-2,3-dihydro-1H-pyrrolizin-5-yl)acryliShow More⌵

Mol. Formula:
C28H24N2O2

M.W.:
420.51

Type:
---

AlogP:
6.61

Polar Surface Area:
54.26

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5285079

Name:
3-(6-(4-hydroxyphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acrylic acid

Mol. Formula:
C22H19NO3

M.W.:
345.40

Type:
---

AlogP:
4.57

Polar Surface Area:
62.46

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5284682

Name:
3-(6-(4-benzylphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acrylic acid

Mol. Formula:
C29H25NO2

M.W.:
419.52

Type:
---

AlogP:
6.46

Polar Surface Area:
42.23

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5270691

Name:
5-amino-2-hydroxy-N-isopropyl-benzamide

Mol. Formula:
C10H14N2O2

M.W.:
194.23

Type:
---

AlogP:
1.11

Polar Surface Area:
75.35

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5270296

Name:
6-(furan-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine

Mol. Formula:
C17H15NO

M.W.:
249.31

Type:
---

AlogP:
4.36

Polar Surface Area:
18.07

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5270046

Name:
8-(4-chlorophenyl)-3-((2-(4-(trifluoromethyl)phenyl)hydrazineylidene)methylShow More⌵

Mol. Formula:
C25H14ClF3N2O3

M.W.:
482.85

Type:
---

AlogP:
7.32

Polar Surface Area:
67.74

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.22

DETAILS