Compounds

ALA475724

Name:
1-(2,3-dihydro-6-propoxychromen-4-ylideneamino)-3-(4-(piperidin-1-yl)butyl)Show More⌵

Mol. Formula:
C24H34N4O4

M.W.:
442.56

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
74.68

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA474106

Name:
1-(2,3-dihydro-6-amidecarboxylchromen-4-ylideneamino)-3-(4-(4-methylpiperazShow More⌵

Mol. Formula:
C22H30N6O4

M.W.:
442.52

Type:
Small molecule

AlogP:
0.56

Polar Surface Area:
111.78

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA473496

Name:
1-(2,3-dihydro-6-chlorochromen-4-ylideneamino)-3-(4-(4-methylpiperazin-1-ylShow More⌵

Mol. Formula:
C21H28ClN5O3

M.W.:
433.94

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
68.69

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA473292

Name:
1-(2,3-dihydro-6-hydroxychromen-4-ylideneamino)-3-(4-(4-methylpiperazin-1-yShow More⌵

Mol. Formula:
C21H29N5O4

M.W.:
415.49

Type:
Small molecule

AlogP:
1.17

Polar Surface Area:
88.92

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA475111

Name:
1-(6-butoxy-2,3-dihydrochromen-4-ylideneamino)-3-(4-(4-methylpiperazin-1-ylShow More⌵

Mol. Formula:
C25H37N5O4

M.W.:
471.60

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
77.92

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA475110

Name:
1-(2,3-dihydro-6-propoxychromen-4-ylideneamino)-3-(4-(4-methylpiperazin-1-yShow More⌵

Mol. Formula:
C24H35N5O4

M.W.:
457.58

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
77.92

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA475109

Name:
1-(2,3-dihydro-6-methoxychromen-4-ylideneamino)-3-(4-(4-methylpiperazin-1-yShow More⌵

Mol. Formula:
C22H31N5O4

M.W.:
429.52

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
77.92

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA484801

Name:
1-(2,3-dihydro-6-chlorochromen-4-ylideneamino)-3-(3-(4-methylpiperazin-1-ylShow More⌵

Mol. Formula:
C20H26ClN5O3

M.W.:
419.91

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
68.69

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA518889

Name:
1-(2,3-dihydro-6-methylchromen-4-ylideneamino)-3-(3-(4-methylpiperazin-1-ylShow More⌵

Mol. Formula:
C21H29N5O3

M.W.:
399.50

Type:
Small molecule

AlogP:
1.38

Polar Surface Area:
68.69

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA486321

Name:
1-(6-butoxy-2,3-dihydrochromen-4-ylideneamino)-3-(3-(4-methylpiperazin-1-ylShow More⌵

Mol. Formula:
C24H35N5O4

M.W.:
457.58

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
77.92

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA520069

Name:
1-(2,3-dihydro-6-propoxychromen-4-ylideneamino)-3-(3-(4-methylpiperazin-1-yShow More⌵

Mol. Formula:
C23H33N5O4

M.W.:
443.55

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
77.92

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA487756

Name:
1-(6-ethoxy-2,3-dihydrochromen-4-ylideneamino)-3-(3-(4-methylpiperazin-1-ylShow More⌵

Mol. Formula:
C22H31N5O4

M.W.:
429.52

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
77.92

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA488372

Name:
1-(2,3-dihydro-6-methoxychromen-4-ylideneamino)-3-(3-(4-methylpiperazin-1-yShow More⌵

Mol. Formula:
C21H29N5O4

M.W.:
415.49

Type:
Small molecule

AlogP:
1.08

Polar Surface Area:
77.92

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA488159

Name:
1-(2,3-dihydro-6-methylchromen-4-ylideneamino)-3-(4-(piperidin-1-yl)butyl)iShow More⌵

Mol. Formula:
C22H30N4O3

M.W.:
398.51

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
65.45

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA518885

Name:
1-(2,3-dihydro-6-hydroxychromen-4-ylideneamino)-3-(4-(piperidin-1-yl)butyl)Show More⌵

Mol. Formula:
C21H28N4O4

M.W.:
400.48

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
85.68

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

Chromanol 293B

Name:
Ethanesulfonic acid (R)-((R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-mShow More⌵

Mol. Formula:
C15H20N2O4S

M.W.:
324.40

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
90.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA121822

Name:
(3-tert-Butyl-pyrrolidin-1-yl)-(4-hexyloxy-phenyl)-methanone

Mol. Formula:
C21H33NO2

M.W.:
331.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA125327

Name:
Enantiomer-4-(3-Butyl-[1,2,4]oxadiazol-5-yl)-N-(2,2-dimethyl-cyclopentylmetShow More⌵

Mol. Formula:
C21H29N3O2

M.W.:
355.48

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
68.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA123085

Name:
N-(3,3-Dimethyl-butyl)-4-(3-phenyl-[1,2,4]oxadiazol-5-yl)-benzamide

Mol. Formula:
C21H23N3O2

M.W.:
349.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
68.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA338973

Name:
Enantiomer-4-(3-Butyl-[1,2,4]oxadiazol-5-yl)-N-(2,2-dimethyl-cyclopentylmetShow More⌵

Mol. Formula:
C21H29N3O2

M.W.:
355.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
68.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS