Compounds

ALA5271282

Name:
6-hydroxy-3-methyl-8-phenethyl-2,5-dihydrobenzo[b]oxepine-7-carboxylic acid

Mol. Formula:
C20H20O4

M.W.:
324.38

Type:
---

AlogP:
3.76

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5270908

Name:
2-(4-methoxyphenyl)-5-oxo-5H-furo[3,2-g]chromene-6-carbaldehyde

Mol. Formula:
C19H12O5

M.W.:
320.30

Type:
---

AlogP:
4.03

Polar Surface Area:
69.65

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

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

ALA5270028

Name:
8-(4-hydroxyphenethyl)-3-methyl-2,5-dihydrobenzo[b]oxepin-6-ol

Mol. Formula:
C19H20O3

M.W.:
296.37

Type:
---

AlogP:
3.76

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5270009

Name:
4-(((5-fluoro-6-(4-fluorophenoxy)-1H-benzo[d]imidazol-2-yl)thio)methyl)benzShow More⌵

Mol. Formula:
C21H14F2N2O3S

M.W.:
412.42

Type:
---

AlogP:
5.62

Polar Surface Area:
75.21

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5269149

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

Mol. Formula:
C28H23NO4S

M.W.:
469.56

Type:
---

AlogP:
5.70

Polar Surface Area:
76.37

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5268421

Name:
6-(5-bromothiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine

Mol. Formula:
C17H14BrNS

M.W.:
344.28

Type:
---

AlogP:
5.59

Polar Surface Area:
4.93

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

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

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

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

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