Compounds

ALA3350140

Name:
1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12
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Mol. Formula:
C50H64N10O14

M.W.:
1029.12

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3350139

Name:
1N-[10,17-dihydroxy-4-methyl-(13R,14R,17S)-12-oxa-
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Mol. Formula:
C19H24N2O4

M.W.:
344.41

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
82.03

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3350136

Name:
1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12
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Mol. Formula:
C46H58N8O12

M.W.:
915.01

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
-2.42

Polar Surface Area:
280.46

HBA:
14

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3350135

Name:
1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12
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Mol. Formula:
C42H52N6O10

M.W.:
800.91

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
-0.65

Polar Surface Area:
222.26

HBA:
12

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3350134

Name:
1N,4N-di[10,17-dihydroxy-4-methyl-(13S,14R,17R)-12
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Mol. Formula:
C38H46N4O8

M.W.:
686.81

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.12

Polar Surface Area:
164.06

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3350133

Name:
1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12
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Mol. Formula:
C42H52N6O10

M.W.:
800.91

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
-0.65

Polar Surface Area:
222.26

HBA:
12

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3350132

Name:
1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12
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Mol. Formula:
C46H58N8O12

M.W.:
915.01

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
-2.42

Polar Surface Area:
280.46

HBA:
14

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3350128

Name:
1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12
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Mol. Formula:
C50H64N10O14

M.W.:
1029.12

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3350127

Name:
1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12
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Mol. Formula:
C38H46N4O8

M.W.:
686.81

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.12

Polar Surface Area:
164.06

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2069638

Name:
17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e
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Mol. Formula:
C30H31N3O4

M.W.:
497.60

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
94.92

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2069637

Name:
17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e
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Mol. Formula:
C29H30N4O4

M.W.:
498.58

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
107.81

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2069633

Name:
17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e
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Mol. Formula:
C31H32N2O4

M.W.:
496.61

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
82.03

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA607319

Name:
1N-[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12-oxa-
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Mol. Formula:
C19H24N2O4

M.W.:
344.41

16 activity values

8 unique targets

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
82.03

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA425836

Name:
N1-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenyle
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Mol. Formula:
C21H26N4O3

M.W.:
382.46

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
85.77

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA179627

Name:
N-({[(S)-2-((R)-3-Hydroxy-pyrrolidin-1-yl)-1-pheny
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Mol. Formula:
C23H29N3O4

M.W.:
411.50

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
82.11

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS