Compounds

ALA2424739

Name:
Butyl 3-((1,4-dioxo-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,4-dihydronaphShow More⌵

Mol. Formula:
C24H29NO6S

M.W.:
459.56

15 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
82.14

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2424738

Name:
Methyl 3-((1,4-dioxo-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,4-dihydronapShow More⌵

Mol. Formula:
C21H23NO6S

M.W.:
417.48

15 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
82.14

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2424732

Name:
2,3-Bis((2-(4-methyl-2-oxocyclohexyl)propan-2-yl)thio)naphthalene-1,4-dione

Mol. Formula:
C30H38O4S2

M.W.:
526.76

15 activity values

5 unique targets

Type:
Small molecule

AlogP:
7.31

Polar Surface Area:
68.28

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2424731

Name:
2,3-Bis((4-(methylthio)phenyl)thio)naphthalene-1,4-dione

Mol. Formula:
C24H18O2S4

M.W.:
466.67

15 activity values

5 unique targets

Type:
Small molecule

AlogP:
7.31

Polar Surface Area:
34.14

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1910542

Name:
2,3-Bis(pyrimidin-2-ylthio)naphthalene-1,4-dione

Mol. Formula:
C18H10N4O2S2

M.W.:
378.44

15 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
85.70

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1910541

Name:
2,3-Bis((furan-2-ylmethyl)thio)naphthalene-1,4-dione

Mol. Formula:
C20H14O4S2

M.W.:
382.46

15 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.33

Polar Surface Area:
60.42

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1910539

Name:
2,3-Bis((6-nitrobenzo[d]thiazol-2-yl)thio)naphthalene-1,4-dione

Mol. Formula:
C24H10N4O6S4

M.W.:
578.63

15 activity values

5 unique targets

Type:
Small molecule

AlogP:
6.90

Polar Surface Area:
146.20

HBA:
12

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA1910538

Name:
2,3-Bis((4-hydroxybutyl)thio)naphthalene-1,4-dione

Mol. Formula:
C18H22O4S2

M.W.:
366.50

15 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
74.60

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1910534

Name:
2-ethoxy-3-((4-hydroxybutyl)thio)naphthalene-1,4-dione

Mol. Formula:
C16H18O4S

M.W.:
306.38

15 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
63.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1910532

Name:
2-chloro-3-((4-chlorobenzyl)thio)naphthalene-1,4-dione

Mol. Formula:
C17H10Cl2O2S

M.W.:
349.24

15 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
34.14

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS