Compounds

ALA5272468

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

Mol. Formula:
C25H23N3O5S

M.W.:
477.54

Type:
---

AlogP:
3.79

Polar Surface Area:
118.65

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5272219

Name:
1-(2-(3-chlorophenyl)-6-hydroxybenzofuran-5-yl)ethan-1-one

Mol. Formula:
C16H11ClO3

M.W.:
286.71

Type:
---

AlogP:
4.66

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5271822

Name:
1,7-dihydroxy-8-(methoxycarbonyl)-9-oxo-9H-xanthene-3-carboxylic acid

Mol. Formula:
C16H10O8

M.W.:
330.25

Type:
---

AlogP:
1.84

Polar Surface Area:
134.27

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5271556

Name:
1,3,6-trihydroxy-7-methoxy-8-(3-methyl-2-oxobut-3-en-1-yl)-2-(3-methylbuta-Show More⌵

Mol. Formula:
C24H22O7

M.W.:
422.43

Type:
---

AlogP:
4.35

Polar Surface Area:
117.20

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5271112

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

Mol. Formula:
C25H26O6

M.W.:
422.48

Type:
---

AlogP:
5.47

Polar Surface Area:
89.13

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5271015

Name:
3,8-dihydroxy-4,5-dimethoxy-1-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxShow More⌵

Mol. Formula:
C21H22O12

M.W.:
466.40

Type:
---

AlogP:
-0.45

Polar Surface Area:
188.51

HBA:
12

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5270988

Name:
4-((1S,3aR,5S,6S,7aR,11R,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

ALA5270891

Name:
(1S,3aR,5S,7aR,14aS)-8-hydroxy-2,2,11-trimethyl-3a,13-bis(3-methylbut-2-en-Show More⌵

Mol. Formula:
C32H38O6

M.W.:
518.65

Type:
---

AlogP:
5.20

Polar Surface Area:
82.06

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5270556

Name:
1-(3,6-dimethylhepta-2,5-dien-1-yl)-3,6,8-trihydroxy-2-methoxy-5-(3-methylbShow More⌵

Mol. Formula:
C28H30O6

M.W.:
462.54

Type:
---

AlogP:
6.51

Polar Surface Area:
100.13

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5270068

Name:
5-(3-hydroxynaphthalen-2-yl)-7-(2-hydroxyphenyl)-6-(piperidine-1-carbonyl)-Show More⌵

Mol. Formula:
C29H25N3O5S

M.W.:
527.60

Type:
---

AlogP:
4.94

Polar Surface Area:
118.65

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5269797

Name:
6-Deoxy-6-fluoro-casuarine

Mol. Formula:
C8H14FNO4

M.W.:
207.20

Type:
---

AlogP:
-2.53

Polar Surface Area:
84.16

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5269730

Name:
1,5-dihydroxy-2,6,8-trimethoxy-9H-xanthen-9-one

Mol. Formula:
C16H14O7

M.W.:
318.28

Type:
---

AlogP:
2.38

Polar Surface Area:
98.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5269142

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

Mol. Formula:
C33H40O9

M.W.:
580.67

Type:
---

AlogP:
3.97

Polar Surface Area:
128.59

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5269102

Name:
1,4,6-trihydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)-5-(2-methylbut-3-en-2-Show More⌵

Mol. Formula:
C24H26O6

M.W.:
410.47

Type:
---

AlogP:
5.04

Polar Surface Area:
100.13

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5268563

Name:
1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbuta-1,3-dien-1-yl)-9H-xanthen-9Show More⌵

Mol. Formula:
C24H22O6

M.W.:
406.43

Type:
---

AlogP:
5.25

Polar Surface Area:
100.13

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5268429

Name:
(1S,3aR,5S,7aR,11R,14aS)-8-hydroxy-2,2,11-trimethyl-3a,13-bis(3-methylbut-2Show More⌵

Mol. Formula:
C37H44O6

M.W.:
584.75

Type:
---

AlogP:
6.71

Polar Surface Area:
82.06

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

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