Compounds

Type:
Unknown

AlogP:
5.94

Polar Surface Area:
43.60

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4514480

Name:
3beta-[(N-Acetyl-Prolyl)-L-Glycyl]-Lup-20(29)-ene-
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Mol. Formula:
C47H70N4O6

M.W.:
787.10

5 activity values

5 unique targets

Type:
Unknown

AlogP:
8.26

Polar Surface Area:
127.79

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4513753

Name:
(2R,3R,4S,5R)-2-(4-(((4aS,6aS,6bR,8aR,10S,12aR,12b
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Mol. Formula:
C44H66N4O9

M.W.:
795.03

Type:
Unknown

AlogP:
6.38

Polar Surface Area:
168.17

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4476474

Name:
(S)-methyl 2-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)
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Mol. Formula:
C42H60N2O4

M.W.:
656.95

Type:
Unknown

AlogP:
8.53

Polar Surface Area:
91.42

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4475864

Name:
N-(2-(4-(benzyloxy)benzamido)ethyl)-3beta-hydroxy-
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Mol. Formula:
C46H64N2O4

M.W.:
709.03

Type:
Unknown

AlogP:
9.13

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4475565

Name:
N-(2-(4-hydroxybenzamido)ethyl)-3beta-hydroxy-urs-
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Mol. Formula:
C39H58N2O4

M.W.:
618.90

Type:
Unknown

AlogP:
7.26

Polar Surface Area:
98.66

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4474108

Name:
3-bromo-7-(5-(6,7-dimethoxy-3,4-dihydroisoquinolin
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Mol. Formula:
C26H30BrNO5

M.W.:
516.43

5 activity values

Type:
Unknown

AlogP:
5.49

Polar Surface Area:
61.14

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4539728

Name:
N-(2-(2,4-dihydroxybenzamido)ethyl)-3beta-hydroxy-
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Mol. Formula:
C39H58N2O5

M.W.:
634.90

Type:
Unknown

AlogP:
6.96

Polar Surface Area:
118.89

HBA:
5

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4538470

Name:
(S)-methyl 2-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)
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Mol. Formula:
C37H61NO4

M.W.:
583.90

Type:
Unknown

AlogP:
7.85

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4537105

Name:
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-N-((1-((2R,3R
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Mol. Formula:
C45H72N4O12

M.W.:
861.09

Type:
Unknown

AlogP:
1.85

Polar Surface Area:
249.34

HBA:
15

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4521165

Name:
3-(2-(4-bromophenyl)hydrazono)-5-phenylfuran-2(3H)
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Mol. Formula:
C16H11BrN2O2

M.W.:
343.18

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
50.69

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4520172

Name:
(S)-dimethyl 2-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14b
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Mol. Formula:
C36H57NO6

M.W.:
599.85

Type:
Unknown

AlogP:
6.37

Polar Surface Area:
101.93

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4533654

Name:
N-(2-(4-(benzyloxy)benzamido)ethyl)-3beta-hydroxy-
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Mol. Formula:
C46H64N2O4

M.W.:
709.03

Type:
Unknown

AlogP:
9.13

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4532462

Name:
6-((4-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,3-tr
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Mol. Formula:
C24H15ClF6N4S

M.W.:
540.92

4 activity values

Type:
Unknown

AlogP:
7.70

Polar Surface Area:
43.60

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4561464

Name:
1,2,3-triazol-1-yl)methyl)-5-chloro-2-(thiophen-2-
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Mol. Formula:
C26H25ClN4S

M.W.:
461.03

4 activity values

Type:
Unknown

AlogP:
6.96

Polar Surface Area:
43.60

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4561171

Name:
(S)-methyl 2-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)
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Mol. Formula:
C36H59NO4S

M.W.:
601.94

Type:
Unknown

AlogP:
7.56

Polar Surface Area:
75.63

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4558370

Name:
(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R
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Mol. Formula:
C71H102N4O27

M.W.:
1443.60

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4557613

Name:
4-cyano-N-((2,5-dimethylthiophen-3-yl)methyl)benze
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Mol. Formula:
C14H14N2O2S2

M.W.:
306.41

7 activity values

5 unique targets

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
69.96

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA4557516

Name:
N-(2-((E)-3-(4-hydroxyphenyl)acrylamido)ethyl)-3be
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Mol. Formula:
C41H60N2O4

M.W.:
644.94