Compounds

Type:
Unknown

AlogP:
-3.61

Polar Surface Area:
255.07

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4744768

Name:
8-(4-Hydroxypiperidin-1-yl)-3-propyl-6-(3,6,6-trim
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Mol. Formula:
C27H36N4O3

M.W.:
464.61

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
87.46

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4742792

Name:
(3S,6S,9S,12S,15S)-3-(4-aminobutyl)-6,15-dibenzyl-
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Mol. Formula:
C36H44N6O7

M.W.:
672.78

Type:
Unknown

AlogP:
-0.02

Polar Surface Area:
211.98

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4740901

Name:
2-[(2S,5S,8S,11S,14S)-14-(4-aminobutyl)-11-benzyl-
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Mol. Formula:
C31H41N7O8

M.W.:
639.71

6 activity values

Type:
Unknown

AlogP:
-2.39

Polar Surface Area:
255.07

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4740377

Name:
8-(((1r,4r)-4-Hydroxycyclohexyl)amino)-3-propyl-6-
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Mol. Formula:
C28H38N4O3

M.W.:
478.64

9 activity values

4 unique targets

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
96.25

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4763549

Name:
8-(((1r,4r)-4-Hydroxycyclohexyl)amino)-3-methyl-6-
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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-(hydroxym
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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-o
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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-
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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-(
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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-d
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Mol. Formula:
C66H100N18O17

M.W.:
1417.64

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4758278

Name:
(3S,6S,9S,12S,15S)-3-(4-aminobutyl)-6-benzyl-12-(h
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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

ALA4756421

Name:
8-(((1r,4r)-4-Hydroxycyclohexyl)amino)-3-isopropyl
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Mol. Formula:
C28H36N4O3

M.W.:
476.62

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
100.01

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4756340

Name:
8-((1-Methylpiperidin-4-yl)amino)-3-propyl-6-(3,6,
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Mol. Formula:
C28H37N5O2

M.W.:
475.64

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
83.02

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4779014

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

ALA4751470

Name:
2-[(2R,5S,8S,11S,14S)-14-(4-aminobutyl)-11-benzyl-
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Mol. Formula:
C31H41N7O8

M.W.:
639.71

Type:
Unknown

AlogP:
-2.39

Polar Surface Area:
255.07

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4751004

Name:
2-[(2S,5S,8S,11S,14S)-5,14-bis(4-aminobutyl)-11-be
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Mol. Formula:
C34H48N8O7

M.W.:
680.81

Type:
Unknown

AlogP:
-1.25

Polar Surface Area:
260.86

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4794348

Name:
(3S,6S,9S,12S,15R)-3-(4-aminobutyl)-6-benzyl-12-(h
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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
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Mol. Formula:
C26H32N4O3

M.W.:
448.57