Compounds

ALA5267622

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

Mol. Formula:
C29H25NO2S

M.W.:
451.59

Type:
---

AlogP:
7.16

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5266540

Name:
Actinoquinoline A

Mol. Formula:
C21H29N3O5

M.W.:
403.48

Type:
---

AlogP:
1.33

Polar Surface Area:
131.78

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5282397

Name:
[2-(N-phenylanilino)-4-(p-tolyl)thiazol-5-yl]-(2-thienyl)methanone

Mol. Formula:
C27H20N2OS2

M.W.:
452.60

Type:
---

AlogP:
7.88

Polar Surface Area:
33.20

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5280353

Name:
2-(2,2-dimethyl-7-phenyl-6-(thiophen-3-yl)-2,3-dihydro-1H-pyrrolizin-5-yl)aShow More⌵

Mol. Formula:
C21H21NO2S

M.W.:
351.47

Type:
---

AlogP:
5.09

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5279593

Name:
6-(4-(methylthio)phenyl)-7-p-tolyl-2,3-dihydro-1H-pyrrolizine

Mol. Formula:
C21H21NS

M.W.:
319.47

Type:
---

AlogP:
5.80

Polar Surface Area:
4.93

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5277274

Name:
6-(4-chlorophenyl)-1-methoxy-2,2,5-trimethyl-7-phenyl-2,3-dihydro-1H-pyrrolShow More⌵

Mol. Formula:
C23H24ClNO

M.W.:
365.90

Type:
---

AlogP:
6.51

Polar Surface Area:
14.16

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5277078

Name:
6-(4-chlorophenyl)-2,2,5-trimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-1-one

Mol. Formula:
C22H20ClNO

M.W.:
349.86

Type:
---

AlogP:
6.01

Polar Surface Area:
22.00

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5276771

Name:
(3Z)-3-[(3-methoxyphenyl)methylene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione

Mol. Formula:
C18H13N3O3

M.W.:
319.32

Type:
---

AlogP:
1.09

Polar Surface Area:
76.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5276738

Name:
1-naphthyl-[4-(4-nitrophenyl)-2-(N-phenylanilino)thiazol-5-yl]methanone

Mol. Formula:
C32H21N3O3S

M.W.:
527.61

Type:
---

AlogP:
8.57

Polar Surface Area:
76.34

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5276107

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

Mol. Formula:
C17H14ClNS

M.W.:
299.83

Type:
---

AlogP:
5.48

Polar Surface Area:
4.93

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5274509

Name:
(3Z)-3-[(3,4-dimethoxyphenyl)methylene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dShow More⌵

Mol. Formula:
C19H15N3O4

M.W.:
349.35

Type:
---

AlogP:
1.10

Polar Surface Area:
85.69

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5274242

Name:
6-(4-(methylthio)phenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine

Mol. Formula:
C20H19NS

M.W.:
305.45

Type:
---

AlogP:
5.49

Polar Surface Area:
4.93

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5273339

Name:
sodium (3-methoxy-4-oxidobenzoyl)((4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyShow More⌵

Mol. Formula:
C25H18F3N3Na2O5S

M.W.:
575.48

Type:
---

AlogP:
4.70

Polar Surface Area:
110.52

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5290615

Name:
Indigocarpan

Mol. Formula:
C17H16O6

M.W.:
316.31

Type:
---

AlogP:
2.72

Polar Surface Area:
77.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5289423

Name:
2-(6-(5-chlorothiophen-2-yl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrroliziShow More⌵

Mol. Formula:
C21H20ClNO2S

M.W.:
385.92

Type:
---

AlogP:
5.75

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5286930

Name:
7-(4-fluorophenyl)-6-(4-(methylsulfonyl)phenyl)-2,3-dihydro-1H-pyrrolizine

Mol. Formula:
C20H18FNO2S

M.W.:
355.43

Type:
---

AlogP:
4.31

Polar Surface Area:
39.07

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5286382

Name:
sodium (ethoxycarbonyl)((4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-ylShow More⌵

Mol. Formula:
C20H17F3N3NaO4S

M.W.:
475.42

Type:
---

AlogP:
4.30

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5285484

Name:
Actinoquinoline B

Mol. Formula:
C21H27N3O5

M.W.:
401.46

Type:
---

AlogP:
1.70

Polar Surface Area:
120.78

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5284424

Name:
2-(6-(furan-2-yl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acetShow More⌵

Mol. Formula:
C21H21NO3

M.W.:
335.40

Type:
---

AlogP:
4.62

Polar Surface Area:
55.37

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5284072

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

Mol. Formula:
C30H27NO2

M.W.:
433.55

Type:
---

AlogP:
6.65

Polar Surface Area:
42.23

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS