Compounds

ALA5271807

Name:
(E)-2-(2-((pyridin-2-ylmethylene)amino)ethyl)-1H-benzo[de]isoquinoline-1,3(Show More⌵

Mol. Formula:
C20H15N3O2

M.W.:
329.36

Type:
---

AlogP:
2.95

Polar Surface Area:
62.63

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5271150

Name:
2-[4-(2-pyridylmethylamino)butyl]benzo[de]isoquinoline-1,3-dione

Mol. Formula:
C22H21N3O2

M.W.:
359.43

Type:
---

AlogP:
3.40

Polar Surface Area:
62.30

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5270637

Name:
N-((S)-1-((S)-4-(2-chlorophenyl)-2-(ethylthio)-5-oxo-4,5-dihydrothiazol-4-yShow More⌵

Mol. Formula:
C22H25ClN2O3S3

M.W.:
497.11

Type:
---

AlogP:
5.37

Polar Surface Area:
75.60

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5269048

Name:
5-(hydroxymethyl)-3'-methyl-1,3-dihydrospiro[indene-2,5'-thiazolidine]-2',4Show More⌵

Mol. Formula:
C13H13NO3S

M.W.:
263.32

Type:
---

AlogP:
1.34

Polar Surface Area:
57.61

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5268793

Name:
2-[6-[(E)-2-pyridylmethyleneamino]hexyl]benzo[de]isoquinoline-1,3-dione

Mol. Formula:
C24H23N3O2

M.W.:
385.47

Type:
---

AlogP:
4.51

Polar Surface Area:
62.63

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5268501

Name:
(5-amino-3-(4-bromophenyl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)meShow More⌵

Mol. Formula:
C18H17BrN4O4

M.W.:
433.26

Type:
---

AlogP:
3.00

Polar Surface Area:
101.49

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5267807

Name:
butyl (S)-17-(((2R,3R,4S,5S,6R)-6-(acetoxymethyl)-3-(((2S,3R,4S,5S,6R)-6-(aShow More⌵

Mol. Formula:
C38H66O15

M.W.:
762.93

Type:
---

AlogP:
3.13

Polar Surface Area:
216.97

HBA:
15

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5280807

Name:
(2R,3R,4S,5S,6R)-2-((1-hexadecyl-1H-1,2,3-triazol-4-yl)methoxy)-6-(hydroxymShow More⌵

Mol. Formula:
C25H47N3O6

M.W.:
485.67

Type:
---

AlogP:
3.08

Polar Surface Area:
130.09

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5279763

Name:
ethyl 2-(5-((3'-(2-ethoxy-2-oxoethyl)-2',4'-dioxo-1,3-dihydrospiro[indene-2Show More⌵

Mol. Formula:
C26H26N2O8S2

M.W.:
558.63

Type:
---

AlogP:
2.35

Polar Surface Area:
127.36

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5277964

Name:
N-((S)-1-((S)-4-(2-bromophenyl)-2-(ethylthio)-5-oxo-4,5-dihydrothiazol-4-ylShow More⌵

Mol. Formula:
C22H25BrN2O3S3

M.W.:
541.56

Type:
---

AlogP:
5.48

Polar Surface Area:
75.60

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5277891

Name:
ethyl (S,E)-17-(((2R,3R,4S,5S,6R)-6-(acetoxymethyl)-3-(((2S,3R,4S,5S,6R)-6-Show More⌵

Mol. Formula:
C36H62O15

M.W.:
734.88

Type:
---

AlogP:
2.35

Polar Surface Area:
216.97

HBA:
15

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5276794

Name:

Mol. Formula:
C26H26N2O7

M.W.:
478.50

Type:
---

AlogP:
2.80

Polar Surface Area:
116.95

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5276341

Name:
(2R,3R,4S,5R)-2-((1-dodecyl-1H-1,2,3-triazol-4-yl)methoxy)tetrahydro-2H-pyrShow More⌵

Mol. Formula:
C20H37N3O5

M.W.:
399.53

Type:
---

AlogP:
2.15

Polar Surface Area:
109.86

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5274297

Name:
2-(5-(hydroxymethyl)-2',4'-dioxo-1,3-dihydrospiro[indene-2,5'-thiazolidin]-Show More⌵

Mol. Formula:
C14H13NO5S

M.W.:
307.33

Type:
---

AlogP:
0.80

Polar Surface Area:
94.91

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5273689

Name:
Homochelidonin

Mol. Formula:
C21H23NO5

M.W.:
369.42

Type:
---

AlogP:
2.62

Polar Surface Area:
60.39

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5273613

Name:
Ethyl 4-(2-bromo-5-hydroxyphenyl)-6-methyl-2-oxo-1-phenyl-1,2,3,4-tetrahydrShow More⌵

Mol. Formula:
C20H19BrN2O4

M.W.:
431.29

Type:
---

AlogP:
4.26

Polar Surface Area:
78.87

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5286110

Name:
(5-amino-3-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)Show More⌵

Mol. Formula:
C19H20N4O5

M.W.:
384.39

Type:
---

AlogP:
2.25

Polar Surface Area:
110.72

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5284600

Name:
2-[2-(2-pyridylmethylamino)ethyl]benzo[de]isoquinoline-1,3-dione

Mol. Formula:
C20H17N3O2

M.W.:
331.37

Type:
---

AlogP:
2.62

Polar Surface Area:
62.30

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5284202

Name:
N-(4-chlorophenyl)-2-(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-ylidene)acetShow More⌵

Mol. Formula:
C18H12Cl2N2O3

M.W.:
375.21

Type:
---

AlogP:
3.82

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5288414

Name:
2-[4-[(E)-2-pyridylmethyleneamino]butyl]benzo[de]isoquinoline-1,3-dione

Mol. Formula:
C22H19N3O2

M.W.:
357.41

Type:
---

AlogP:
3.73

Polar Surface Area:
62.63

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS