Compounds

ALA4765034

Name:
Octadecanoic acid 1-((S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benShow More⌵

Mol. Formula:
C41H59N3O7

M.W.:
705.94

5 activity values

5 unique targets

Type:
Unknown

AlogP:
9.18

Polar Surface Area:
111.00

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4761855

Name:
6-{2-Oxo-4-[1-((S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]hShow More⌵

Mol. Formula:
C35H33N3O8

M.W.:
623.66

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
131.98

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4761501

Name:
(R)-9-hydroxy-1,2,3-trimethoxy-5-methyl-11,12-dihydro-5H-benzo[e]cycloheptaShow More⌵

Mol. Formula:
C19H22O6

M.W.:
346.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
74.22

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4747139

Name:
Hexadecanoic acid 1-((S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benShow More⌵

Mol. Formula:
C39H55N3O7

M.W.:
677.88

5 activity values

5 unique targets

Type:
Unknown

AlogP:
8.40

Polar Surface Area:
111.00

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4745828

Name:
Dodecanoic acid 1-((S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzoShow More⌵

Mol. Formula:
C35H47N3O7

M.W.:
621.77

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.84

Polar Surface Area:
111.00

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4744630

Name:
Octadecanoic acid 1-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[aShow More⌵

Mol. Formula:
C41H59N3O7

M.W.:
705.94

1 activity values

1 unique targets

Type:
Unknown

AlogP:
9.18

Polar Surface Area:
111.00

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4744576

Name:
Octadec-9-enoic acid 1-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzShow More⌵

Mol. Formula:
C41H57N3O7

M.W.:
703.92

1 activity values

1 unique targets

Type:
Unknown

AlogP:
8.96

Polar Surface Area:
111.00

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4229245

Name:
1-(4-(3,4-dichlorophenyl)-5-(isopropylthio)thiazol-2-yl)-3-methyl-4-(4-(triShow More⌵

Mol. Formula:
C24H18Cl2F3N3O2S2

M.W.:
572.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
8.50

Polar Surface Area:
68.01

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4229180

Name:
1-(4-(3,4-dichlorophenyl)-5-(isopropylthio)thiazol-2-yl)-4-(2-methoxy-5-metShow More⌵

Mol. Formula:
C25H23Cl2N3O3S2

M.W.:
548.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.79

Polar Surface Area:
77.24

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4229096

Name:
4-(3,5-dichlorophenyl)-1-(5-(isopropylthio)-4-(pyridin-3-yl)thiazol-2-yl)-5Show More⌵

Mol. Formula:
C22H18Cl2N4O2S2

M.W.:
505.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.87

Polar Surface Area:
80.90

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4228986

Name:
4-(4-chlorophenyl)-1-(4-(3,4-dichlorophenyl)-5-(isopropylthio)thiazol-2-yl)Show More⌵

Mol. Formula:
C23H18Cl3N3O2S2

M.W.:
538.91

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
8.13

Polar Surface Area:
68.01

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4228847

Name:
1-(4-(3,4-dichlorophenyl)-5-(isopropylthio)thiazol-2-yl)-4-(4-methoxyphenylShow More⌵

Mol. Formula:
C24H21Cl2N3O3S2

M.W.:
534.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.49

Polar Surface Area:
77.24

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4228787

Name:
4-(3-cyano-5-methoxyphenyl)-1-(4-(3,4-dichlorophenyl)-5-(isopropylthio)thiaShow More⌵

Mol. Formula:
C25H20Cl2N4O3S2

M.W.:
559.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.36

Polar Surface Area:
101.03

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4228776

Name:
4-(3,5-dichlorophenyl)-1-(5-(isopropylthio)-4-(1-methyl-1H-pyrazol-4-yl)thiShow More⌵

Mol. Formula:
C21H19Cl2N5O2S2

M.W.:
508.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.21

Polar Surface Area:
85.83

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4228725

Name:
1-(4-(3,4-dichlorophenyl)-5-(isopropylthio)thiazol-2-yl)-3-methyl-4-(3-(triShow More⌵

Mol. Formula:
C24H18Cl2F3N3O2S2

M.W.:
572.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
8.50

Polar Surface Area:
68.01

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4228663

Name:
1-(4-(3,4-dichlorophenyl)-5-(isopropylthio)thiazol-2-yl)-3-methyl-4-(pyrimiShow More⌵

Mol. Formula:
C21H17Cl2N5O2S2

M.W.:
506.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.27

Polar Surface Area:
93.79

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4228529

Name:
1-(4-(3,4-dichlorophenyl)-5-(isopropylthio)thiazol-2-yl)-3-methyl-4-(pyraziShow More⌵

Mol. Formula:
C21H17Cl2N5O2S2

M.W.:
506.44

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.27

Polar Surface Area:
93.79

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4228519

Name:
4-(3,5-dichlorophenyl)-1-(5-(isopropylthio)-4-(5-methylisoxazol-4-yl)thiazoShow More⌵

Mol. Formula:
C21H18Cl2N4O3S2

M.W.:
509.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.77

Polar Surface Area:
94.04

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4228466

Name:
4-(3-chlorophenyl)-1-(4-(3,4-dichlorophenyl)-5-(isopropylthio)thiazol-2-yl)Show More⌵

Mol. Formula:
C23H18Cl3N3O2S2

M.W.:
538.91

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
8.13

Polar Surface Area:
68.01

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4228369

Name:
1-(4-(3,4-dichlorophenyl)-5-(isopropylthio)thiazol-2-yl)-4-(5-methoxypyridiShow More⌵

Mol. Formula:
C23H20Cl2N4O3S2

M.W.:
535.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.88

Polar Surface Area:
90.13

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS