Compounds

ALA5272445

Name:
N-{2-[(4S,5S)-7-(2-Bromo-benzyl)-4,5-dihydroxy-1,1-dioxo-1lambda^6-[1,2,7]tShow More⌵

Mol. Formula:
C30H30BrN3O5S

M.W.:
624.56

Type:
---

AlogP:
4.07

Polar Surface Area:
110.18

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5271732

Name:
1-amino-3,9,26-tris(4-aminobenzyl)-29-benzyl-6-(cyclohexylmethyl)-1,4,7,10,Show More⌵

Mol. Formula:
C61H85N9O8

M.W.:
1072.41

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5271554

Name:
4-hydroxy-7,8-dimethyl-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one

Mol. Formula:
C21H20O4

M.W.:
336.39

Type:
---

AlogP:
4.23

Polar Surface Area:
67.51

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5271231

Name:
(S)-N1-((2S,3S)-4-((R)-4-(tert-butylcarbamoyl)thiazolidin-3-yl)-3-hydroxy-4Show More⌵

Mol. Formula:
C34H41N5O7S

M.W.:
663.80

Type:
---

AlogP:
1.48

Polar Surface Area:
180.16

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5271223

Name:
(3R,6aR)-hexahydrofuro[2,3-b]furan-3-yl (2S,3R)-4-(4-carbamoyl-N-isobutylphShow More⌵

Mol. Formula:
C28H37N3O8S

M.W.:
575.68

Type:
---

AlogP:
1.89

Polar Surface Area:
157.49

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5271083

Name:
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((4-(2-(diethylaminoShow More⌵

Mol. Formula:
C33H48N4O8S

M.W.:
660.83

Type:
---

AlogP:
3.07

Polar Surface Area:
146.74

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5270593

Name:
5-(4-hydroxy-6-oxo-5-(phenethylthio)-2-phenyl-3,6-dihydro-2H-pyran-2-yl)penShow More⌵

Mol. Formula:
C24H26O5S

M.W.:
426.53

Type:
---

AlogP:
5.22

Polar Surface Area:
83.83

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5270344

Name:
(S)-N1-((2S,3S)-4-((R)-4-(tert-butylcarbamoyl)thiazolidin-3-yl)-3-hydroxy-4Show More⌵

Mol. Formula:
C30H39N5O7S

M.W.:
613.74

Type:
---

AlogP:
1.06

Polar Surface Area:
180.16

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5269805

Name:
(4S,5S)-2,7-Bis-(2-benzofuran-2-yl-benzyl)-1,1-dioxo-1lambda^6-[1,2,7]thiadShow More⌵

Mol. Formula:
C34H30N2O6S

M.W.:
594.69

Type:
---

AlogP:
5.80

Polar Surface Area:
107.36

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5268749

Name:
4-(((2S,3R)-3-hydroxy-4-((N-isobutyl-4-methoxyphenyl)sulfonamido)-1-phenylbShow More⌵

Mol. Formula:
C25H34N2O7S

M.W.:
506.62

Type:
---

AlogP:
2.30

Polar Surface Area:
133.24

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5268648

Name:
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((4-((S)-2-((tert-buShow More⌵

Mol. Formula:
C37H54N4O10S

M.W.:
746.92

Type:
---

AlogP:
4.28

Polar Surface Area:
181.83

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5268156

Name:
(5S,8S,27S,30S)-27-(2-amino-2-oxoethyl)-30-benzyl-8-((R)-1-hydroxyethyl)-1-Show More⌵

Mol. Formula:
C53H76N6O11

M.W.:
973.22

Type:
---

AlogP:
5.87

Polar Surface Area:
275.58

HBA:
10

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
35

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5282058

Name:
(R)-4-(benzyloxy)-4-oxo-2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,Show More⌵

Mol. Formula:
C35H51NO8

M.W.:
613.79

Type:
---

AlogP:
4.07

Polar Surface Area:
153.39

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5281851

Name:
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((4-(2-((tert-butoxyShow More⌵

Mol. Formula:
C34H48N4O10S

M.W.:
704.84

Type:
---

AlogP:
3.26

Polar Surface Area:
181.83

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5281354

Name:
(2S,5S,8S,27S,30S)-1-amino-27-(2-amino-2-oxoethyl)-2-(4-aminobenzyl)-30-benShow More⌵

Mol. Formula:
C49H76N8O9S

M.W.:
953.26

Type:
---

AlogP:
4.18

Polar Surface Area:
295.00

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
36

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5280692

Name:
N-[2-((4S,5S)-7-Benzyl-4,5-dihydroxy-1,1-dioxo-1lambda^6-[1,2,7]thiadiazepaShow More⌵

Mol. Formula:
C30H31N3O5S

M.W.:
545.66

Type:
---

AlogP:
3.31

Polar Surface Area:
110.18

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5280667

Name:
3,3'-(phenylmethylene)bis(6-hexyl-4,7-dihydroxy-2H-chromen-2-one)

Mol. Formula:
C37H40O8

M.W.:
612.72

Type:
---

AlogP:
8.15

Polar Surface Area:
141.34

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5280289

Name:
(S)-N1-((2S,3S)-4-((R)-4-(tert-butylcarbamoyl)-5,5-dimethylthiazolidin-3-ylShow More⌵

Mol. Formula:
C36H45N5O7S

M.W.:
691.85

Type:
---

AlogP:
2.26

Polar Surface Area:
180.16

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5280093

Name:
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((4-(2-(ethylamino)aShow More⌵

Mol. Formula:
C31H44N4O8S

M.W.:
632.78

Type:
---

AlogP:
2.34

Polar Surface Area:
155.53

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5279989

Name:
3-(cyclopropyl(phenyl)methyl)-4-hydroxy-6,6-dipropyl-5,6-dihydro-2H-pyran-2Show More⌵

Mol. Formula:
C21H28O3

M.W.:
328.45

Type:
---

AlogP:
5.28

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS