Compounds

ALA5267593

Name:
4-((1S,3aR,5S,6S,7aR,11R,14aS)-8-hydroxy-6-methoxy-2,2,11-trimethyl-13-(3-mShow More⌵

Mol. Formula:
C38H46O9

M.W.:
646.78

Type:
---

AlogP:
5.48

Polar Surface Area:
128.59

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5267228

Name:
1-(((2R,3S,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3S,4S,5R,6S)-3Show More⌵

Mol. Formula:
C27H32O17

M.W.:
628.54

Type:
---

AlogP:
-2.62

Polar Surface Area:
267.66

HBA:
17

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5266487

Name:
4-(8-(3,6-dimethylhepta-2,5-dien-1-yl)-1,3,6-trihydroxy-7-methoxy-9-oxo-9H-Show More⌵

Mol. Formula:
C30H34O8

M.W.:
522.59

Type:
---

AlogP:
5.97

Polar Surface Area:
126.43

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5266421

Name:
7-hydroxy-7'-{[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,Show More⌵

Mol. Formula:
C24H20O11

M.W.:
484.41

Type:
---

AlogP:
0.45

Polar Surface Area:
180.03

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5266358

Name:
5-(4-hydroxy-3-methoxyphenyl)-7-(2-hydroxyphenyl)-6-(piperidine-1-carbonyl)Show More⌵

Mol. Formula:
C26H25N3O6S

M.W.:
507.57

Type:
---

AlogP:
3.80

Polar Surface Area:
127.88

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5266019

Name:
8-hydroxy-3,4,5-trimethoxy-1-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((((2R,3Show More⌵

Mol. Formula:
C27H32O16

M.W.:
612.54

Type:
---

AlogP:
-1.68

Polar Surface Area:
236.43

HBA:
16

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5266017

Name:
4-((1S,3aR,5S,12aS)-9-(3,7-dimethylocta-2,6-dien-1-yl)-8-hydroxy-2,2,10-triShow More⌵

Mol. Formula:
C39H48O7

M.W.:
628.81

Type:
---

AlogP:
7.87

Polar Surface Area:
110.13

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5282683

Name:
4-((1S,3aR,5S,6S,7aR,14aS)-6,8-dihydroxy-2,2,11-trimethyl-13-(3-methylbut-2Show More⌵

Mol. Formula:
C37H44O9

M.W.:
632.75

Type:
---

AlogP:
4.82

Polar Surface Area:
139.59

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5282409

Name:
6-epi-7-deoxy-casuarine

Mol. Formula:
C8H15NO4

M.W.:
189.21

Type:
---

AlogP:
-2.48

Polar Surface Area:
84.16

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5282285

Name:
3-{4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]phenyl}-1-(3-methoxyphenylShow More⌵

Mol. Formula:
C33H24N2O7S

M.W.:
592.63

Type:
---

AlogP:
6.31

Polar Surface Area:
134.17

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5282120

Name:
6-((3-(4-hydroxy-3-methoxyphenyl)acryloyl)-7-((4-hydroxy-3-methoxystyryl)-5Show More⌵

Mol. Formula:
C34H27N3O8

M.W.:
605.60

Type:
---

AlogP:
4.75

Polar Surface Area:
166.73

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5281905

Name:
6,7-dideoxy-6-fluorocasuarine

Mol. Formula:
C8H14FNO3

M.W.:
191.20

Type:
---

AlogP:
-1.50

Polar Surface Area:
63.93

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5281336

Name:
1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methylbuta-1,3-Show More⌵

Mol. Formula:
C24H26O7

M.W.:
426.47

Type:
---

AlogP:
4.36

Polar Surface Area:
120.36

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5281320

Name:
3-{4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]phenyl}-1-(2-methoxyphenylShow More⌵

Mol. Formula:
C33H24N2O7S

M.W.:
592.63

Type:
---

AlogP:
6.31

Polar Surface Area:
134.17

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5280381

Name:
4-((1S,3aR,5S,6S,7aR,11S,14aS)-6-ethoxy-8-hydroxy-2,2,11-trimethyl-13-(3-meShow More⌵

Mol. Formula:
C39H48O9

M.W.:
660.80

Type:
---

AlogP:
5.87

Polar Surface Area:
128.59

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5280071

Name:
1,3-dihydroxy-2-(2-hydroxy-3-methylbut-3-en-1-yl)-6,7-dimethoxy-8-(3-methylShow More⌵

Mol. Formula:
C25H26O7

M.W.:
438.48

Type:
---

AlogP:
4.44

Polar Surface Area:
109.36

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5279919

Name:
7-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-6-(piperidine-1-carbonyl)-2-thioxo-Show More⌵

Mol. Formula:
C26H25N3O5S

M.W.:
491.57

Type:
---

AlogP:
4.09

Polar Surface Area:
107.65

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5279710

Name:
5,7,10-trihydroxy-1,1,2-trimethyl-1,2-dihydro-6H-furo[2,3-c]xanthen-6-one

Mol. Formula:
C18H16O6

M.W.:
328.32

Type:
---

AlogP:
3.12

Polar Surface Area:
100.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5279086

Name:
1-hydroxy-4,5-dimethoxy-3-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymetShow More⌵

Mol. Formula:
C21H22O11

M.W.:
450.40

Type:
---

AlogP:
-0.15

Polar Surface Area:
168.28

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5278897

Name:
6-deoxy-6-difluoro-7-epi-casuarine

Mol. Formula:
C8H13F2NO4

M.W.:
225.19

Type:
---

AlogP:
-2.24

Polar Surface Area:
84.16

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS