Compounds

ALA5267645

Name:
3,3'-(benzo[d][1,3]dioxol-5-ylmethylene)bis(4-hydroxy-2H-chromen-2-one)

Mol. Formula:
C26H16O8

M.W.:
456.41

Type:
---

AlogP:
4.22

Polar Surface Area:
119.34

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5267260

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

Mol. Formula:
C37H48N4O8S

M.W.:
708.88

Type:
---

AlogP:
4.08

Polar Surface Area:
155.53

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5266669

Name:
(2S)-tert-butyl 2-((3-(cyclopropyl(4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)-2Show More⌵

Mol. Formula:
C32H39NO5

M.W.:
517.67

Type:
---

AlogP:
6.77

Polar Surface Area:
88.77

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5266228

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

Mol. Formula:
C31H44N4O8S

M.W.:
632.78

Type:
---

AlogP:
2.29

Polar Surface Area:
146.74

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5265800

Name:
2-O-Acetyldryopteric acid

Mol. Formula:
C32H50O4

M.W.:
498.75

Type:
---

AlogP:
7.66

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

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

ALA5278603

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

ALA5278044

Name:
(3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl (2S,3R)-3-hydroxy-4Show More⌵

Mol. Formula:
C28H36F2N2O8S

M.W.:
598.67

Type:
---

AlogP:
3.05

Polar Surface Area:
123.63

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5277648

Name:
(7aS,8S)-hexahydro-2H-3,5-methanofuro[2,3-b]pyran-8-yl ((2S,3R)-4-(2-(cycloShow More⌵

Mol. Formula:
C33H42N4O8S

M.W.:
654.79

Type:
---

AlogP:
3.75

Polar Surface Area:
152.46

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5275635

Name:
4-hydroxy-7-methoxy-3-(1-phenylpropyl)-2H-chromen-2-one

Mol. Formula:
C19H18O4

M.W.:
310.35

Type:
---

AlogP:
4.05

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5274909

Name:
(S)-methyl 2-((S)-2-((S)-2-(4-(7-(4-((R)-1-(2-(5-acetamido-2-methoxybenzoylShow More⌵

Mol. Formula:
C59H80N8O14

M.W.:
1125.33

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5274743

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

Mol. Formula:
C28H36N2O9S

M.W.:
576.67

Type:
---

AlogP:
2.49

Polar Surface Area:
151.70

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5274691

Name:
(3S,4S)-3,4-bis(2-(naphthalen-1-yl)acetoxy)pyrrolidinium

Mol. Formula:
C28H25NO4

M.W.:
439.51

Type:
---

AlogP:
4.21

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS