Compounds

ALA5197286

Name:
3,5-bis(4-nitrobenzyl)piperidin-4-one

Mol. Formula:
C19H19N3O5

M.W.:
369.38

1 activity values

1 unique targets

Type:
---

AlogP:
2.69

Polar Surface Area:
115.38

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5195092

Name:
3-(4-butylphenyl)-4-(4-isopropylphenyl)-5-methyl-4H-1,2,4-triazole

Mol. Formula:
C22H27N3

M.W.:
333.48

1 activity values

1 unique targets

Type:
---

AlogP:
5.71

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5193983

Name:
methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(Show More⌵

Mol. Formula:
C25H22N4O8

M.W.:
506.47

1 activity values

1 unique targets

Type:
---

AlogP:
2.10

Polar Surface Area:
186.18

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA241723

Name:
4-({[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1,3-thiazol-2-Show More⌵

Mol. Formula:
C16H13N5OS2

M.W.:
355.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
82.76

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA241722

Name:
N1-cyclopentyl-N2-(3-methoxyphenyl)-N2-(phenylsulfonyl)glycinamide

Mol. Formula:
C20H24N2O4S

M.W.:
388.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA241721

Name:
N1-cyclopropyl-N2-[(4-methoxyphenyl)sulfonyl]-N2-(4-methylphenyl)glycinamidShow More⌵

Mol. Formula:
C19H22N2O4S

M.W.:
374.46

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA391878

Name:
5-(4-fluorophenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(3-pyridinylmethyl)-1,Show More⌵

Mol. Formula:
C22H17FN2O4

M.W.:
392.39

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
83.64

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA391877

Name:
3-hydroxy-5-(4-methoxyphenyl)-1-(1,3,4-thiadiazol-2-yl)-4-(2-thienylcarbonyShow More⌵

Mol. Formula:
C18H13N3O4S2

M.W.:
399.45

40 activity values

31 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
92.62

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA239398

Name:
N-{3-[1-acetyl-5-(2-thienyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethanesulfoShow More⌵

Mol. Formula:
C17H19N3O3S2

M.W.:
377.49

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
78.84

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

WAY-300434

Name:
N1-cyclopropyl-N2-(4-methoxyphenyl)-N2-[(4-methylphenyl)sulfonyl]glycinamidShow More⌵

Mol. Formula:
C19H22N2O4S

M.W.:
374.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA392723

Name:
N-{4-[1-(2-furoyl)-5-(2-furyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesuShow More⌵

Mol. Formula:
C19H17N3O5S

M.W.:
399.43

21 activity values

15 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
105.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA241698

Name:
3-[4-methyl-5-({[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}thio)-4H-1, 2,4-Show More⌵

Mol. Formula:
C18H14N6OS2

M.W.:
394.49

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
85.42

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA392515

Name:
1-benzyl-3-hydroxy-4-(5-methyl-2-furoyl)-5-(3-pyridinyl)-1,5-dihydro-2H-pyrShow More⌵

Mol. Formula:
C22H18N2O4

M.W.:
374.40

17 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
83.64

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS