Compounds

ALA5270495

Name:
3-(2,5-dimethoxyphenyl)-4-(1-methyl-1H-indol-3-yl)furan-2(5H)-one

Mol. Formula:
C21H19NO4

M.W.:
349.39

Type:
---

AlogP:
3.66

Polar Surface Area:
49.69

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5282314

Name:
3-(3,4-dimethoxyphenyl)-4-(1-methyl-1H-indol-3-yl)furan-2(5H)-one

Mol. Formula:
C21H19NO4

M.W.:
349.39

Type:
---

AlogP:
3.66

Polar Surface Area:
49.69

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5281066

Name:
(E)-4-(3-hydroxy-7-phenylhept-6-en-1-yl)phenol

Mol. Formula:
C19H22O2

M.W.:
282.38

Type:
---

AlogP:
4.18

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5275963

Name:
4-(1-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)furan-2(5H)-one

Mol. Formula:
C22H21NO5

M.W.:
379.41

Type:
---

AlogP:
3.67

Polar Surface Area:
58.92

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5286273

Name:
4-(1-methyl-1H-indol-3-yl)-3-(p-tolyl)furan-2(5H)-one

Mol. Formula:
C20H17NO2

M.W.:
303.36

Type:
---

AlogP:
3.95

Polar Surface Area:
31.23

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5286148

Name:
3-(quinolin-4-ylamino)-N-(3-(quinolin-4-ylamino)phenyl)benzamide

Mol. Formula:
C31H23N5O

M.W.:
481.56

Type:
---

AlogP:
7.52

Polar Surface Area:
78.94

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5285340

Name:
3-(quinolin-4-ylamino)-N-(4-(quinolin-4-ylamino)phenyl)benzamide

Mol. Formula:
C31H23N5O

M.W.:
481.56

Type:
---

AlogP:
7.52

Polar Surface Area:
78.94

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5283765

Name:
(E)-4-(3-hydroxy-7-phenylhept-6-en-1-yl)benzene-1,2-diol

Mol. Formula:
C19H22O3

M.W.:
298.38

Type:
---

AlogP:
3.88

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5283470

Name:
4-(1-methyl-1H-indol-3-yl)-3-phenylfuran-2(5H)-one

Mol. Formula:
C19H15NO2

M.W.:
289.33

Type:
---

AlogP:
3.65

Polar Surface Area:
31.23

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5283390

Name:
3-(3-methoxyphenyl)-4-(1-methyl-1H-indol-3-yl)furan-2(5H)-one

Mol. Formula:
C20H17NO3

M.W.:
319.36

Type:
---

AlogP:
3.65

Polar Surface Area:
40.46

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5282973

Name:
3-(2-methoxyphenyl)-4-(1-methyl-1H-indol-3-yl)furan-2(5H)-one

Mol. Formula:
C20H17NO3

M.W.:
319.36

Type:
---

AlogP:
3.65

Polar Surface Area:
40.46

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5290043

Name:
3-(4-methoxyphenyl)-4-(1-methyl-1H-indol-3-yl)furan-2(5H)-one

Mol. Formula:
C20H17NO3

M.W.:
319.36

Type:
---

AlogP:
3.65

Polar Surface Area:
40.46

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5288211

Name:
4-(1-methyl-1H-indol-3-yl)-3-(m-tolyl)furan-2(5H)-one

Mol. Formula:
C20H17NO2

M.W.:
303.36

Type:
---

AlogP:
3.95

Polar Surface Area:
31.23

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5207621

Name:
(+)-6,6'-Dihydroxyneothiobinupharidine

Mol. Formula:
C30H42N2O4S

M.W.:
526.74

1 activity values

1 unique targets

Type:
---

AlogP:
5.94

Polar Surface Area:
73.22

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5205108

Name:
(+/-)-3,9-dimethyl-3-(methylthio)-6-phenyloctahydro-2H-quinolizin-4-ol

Mol. Formula:
C18H27NOS

M.W.:
305.49

1 activity values

1 unique targets

Type:
---

AlogP:
4.06

Polar Surface Area:
23.47

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5201446

Name:
(4S,6R,9S,9aR)-9-methyl-3,3-bis(methylthio)-6-phenyloctahydro-2H-quinolizinShow More⌵

Mol. Formula:
C18H27NOS2

M.W.:
337.55

1 activity values

1 unique targets

Type:
---

AlogP:
4.36

Polar Surface Area:
23.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5201288

Name:
(-)-6,6'-Dihydroxyneothiobinupharidine

Mol. Formula:
C30H42N2O4S

M.W.:
526.74

1 activity values

1 unique targets

Type:
---

AlogP:
5.94

Polar Surface Area:
73.22

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5200973

Name:
(3S,4S,6R,9S,9aR)-6-(4-methoxyphenyl)-3,9-dimethyl-3-(methylthio)octahydro-Show More⌵

Mol. Formula:
C19H29NO2S

M.W.:
335.51

1 activity values

1 unique targets

Type:
---

AlogP:
4.07

Polar Surface Area:
32.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5199590

Name:
(3R,4S,6R,9S,9aR)-6-(4-methoxyphenyl)-3,9-dimethyl-3-(methylthio)octahydro-Show More⌵

Mol. Formula:
C19H29NO2S

M.W.:
335.51

1 activity values

1 unique targets

Type:
---

AlogP:
4.07

Polar Surface Area:
32.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5199230

Name:
(3S,4S,6R,9S,9aR)-9-methyl-3-(methylthio)-6-phenyl-3-(prop-2-yn-1-yl)octahyShow More⌵

Mol. Formula:
C20H27NOS

M.W.:
329.51

1 activity values

1 unique targets

Type:
---

AlogP:
4.07

Polar Surface Area:
23.47

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS