Compounds

Type:
Unknown

AlogP:
4.77

Polar Surface Area:
100.01

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4796520

Name:
8-(((1r,4r)-4-Hydroxycyclohexyl)amino)-3-propyl-6-(3,6,6-trimethyl-4-oxo-4,Show More⌵

Mol. Formula:
C28H36N4O3

M.W.:
476.62

16 activity values

9 unique targets

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
100.01

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4794348

Name:
(3S,6S,9S,12S,15R)-3-(4-aminobutyl)-6-benzyl-12-(hydroxymethyl)-9-[(4-hydroShow More⌵

Mol. Formula:
C30H40N6O7

M.W.:
596.68

Type:
Unknown

AlogP:
-1.24

Polar Surface Area:
211.98

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4791941

Name:
8-Morpholino-3-propyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazoShow More⌵

Mol. Formula:
C26H32N4O3

M.W.:
448.57

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
80.22

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4791530

Name:
8-(((1r,4r)-4-Hydroxycyclohexyl)amino)-3-(methoxymethyl)-6-(3,6,6-trimethylShow More⌵

Mol. Formula:
C27H34N4O4

M.W.:
478.59

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
109.24

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4790369

Name:
2-[(2S,5S,8S,11S,14S)-14-(4-aminobutyl)-11-benzyl-8-[(4-hydroxyphenyl)methyShow More⌵

Mol. Formula:
C31H41N7O7

M.W.:
623.71

Type:
Unknown

AlogP:
-1.36

Polar Surface Area:
234.84

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4789323

Name:
3-(tert-Butyl)-8-(((1r,4r)-4-hydroxycyclohexyl)amino)-6-(3,6,6-trimethyl-4-Show More⌵

Mol. Formula:
C29H38N4O3

M.W.:
490.65

Type:
Unknown

AlogP:
5.19

Polar Surface Area:
100.01

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4788842

Name:
(3R,6S,9S,12S,15S)-3-(4-aminobutyl)-6-benzyl-12-(hydroxymethyl)-9-[(4-hydroShow More⌵

Mol. Formula:
C30H40N6O7

M.W.:
596.68

Type:
Unknown

AlogP:
-1.24

Polar Surface Area:
211.98

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4787078

Name:
8-(4-Hydroxypiperidin-1-yl)-3-propyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetraShow More⌵

Mol. Formula:
C27H34N4O3

M.W.:
462.59

10 activity values

4 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
91.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4786786

Name:
(3S,6S,9S,12S,15S)-3-(4-aminobutyl)-6-benzyl-12-(hydroxymethyl)-9-[(4-hydroShow More⌵

Mol. Formula:
C33H46N6O7

M.W.:
638.77

Type:
Unknown

AlogP:
-0.22

Polar Surface Area:
211.98

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4786075

Name:
8-(4-Methylpiperazin-1-yl)-3-propyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahShow More⌵

Mol. Formula:
C27H35N5O2

M.W.:
461.61

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
74.23

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4781194

Name:
8-((2-(Diethylamino)ethyl)(methyl)amino)-3-propyl-6-(3,6,6-trimethyl-4-oxo-Show More⌵

Mol. Formula:
C29H41N5O2

M.W.:
491.68

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
74.23

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4779014

Name:
2-[(2S,5S,8S,11S,14S)-14-(4-aminobutyl)-11-benzyl-5-(hydroxymethyl)-8-[(4-hShow More⌵

Mol. Formula:
C31H40N6O9

M.W.:
640.69

Type:
Unknown

AlogP:
-1.79

Polar Surface Area:
249.28

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4777096

Name:
(3S,6S,9S,12S,15S)-3,6-bis(4-aminobutyl)-9-benzyl-15-(hydroxymethyl)-12-[(4Show More⌵

Mol. Formula:
C33H47N7O7

M.W.:
653.78

Type:
Unknown

AlogP:
-1.13

Polar Surface Area:
238.00

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4763549

Name:
8-(((1r,4r)-4-Hydroxycyclohexyl)amino)-3-methyl-6-(3,6,6-trimethyl-4-oxo-4,Show More⌵

Mol. Formula:
C26H32N4O3

M.W.:
448.57

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
100.01

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4763239

Name:
8-(((1r,4r)-4-Hydroxycyclohexyl)amino)-3-(hydroxymethyl)-6-(3,6,6-trimethylShow More⌵

Mol. Formula:
C26H32N4O4

M.W.:
464.57

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
120.24

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4762355

Name:
8-(Piperazin-1-yl)-3-propyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-Show More⌵

Mol. Formula:
C26H33N5O2

M.W.:
447.58

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
83.02

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4761885

Name:
8-(((1r,4r)-4-Hydroxycyclohexyl)amino)-3-isobutyl-6-(3,6,6-trimethyl-4-oxo-Show More⌵

Mol. Formula:
C29H38N4O3

M.W.:
490.65

Type:
Unknown

AlogP:
5.09

Polar Surface Area:
100.01

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4761498

Name:
3-Butyl-8-(((1r,4r)-4-hydroxycyclohexyl)amino)-6-(3,6,6-trimethyl-4-oxo-4,5Show More⌵

Mol. Formula:
C29H38N4O3

M.W.:
490.65

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
100.01

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4760133

Name:
(2S,5S,8S,11S,14S,20S,23S,26S,29S,32S,35S)-35,39-diamino-14-(2-amino-2-oxoeShow More⌵

Mol. Formula:
C66H100N18O17

M.W.:
1417.64