Compounds

Type:
---

AlogP:
2.58

Polar Surface Area:
158.47

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5219962

Name:
2,3-epoxy-4,5,8-trihydroxy-2-prenyl-1-tetralone

Mol. Formula:
C15H16O5

M.W.:
276.29

Type:
---

AlogP:
1.82

Polar Surface Area:
90.29

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5219418

Name:
(2S,3R)-3,4,7-Trihydroxy-2-(3'-methylbut-2'-en-1'-yl)-2,3-dihydro-1H-inden-Show More⌵

Mol. Formula:
C14H16O4

M.W.:
248.28

Type:
---

AlogP:
2.30

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5218891

Name:
(Z)-2-(1',4'-Dihydroxy-4'-methylpent-2'-en-1'-ylidene)-4,7-dihydroxy-1H-indShow More⌵

Mol. Formula:
C15H14O6

M.W.:
290.27

Type:
---

AlogP:
1.62

Polar Surface Area:
115.06

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5218752

Name:
chlorosesamone

Mol. Formula:
C15H13ClO4

M.W.:
292.72

Type:
---

AlogP:
3.33

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5218561

Name:
2,3-epoxysesamone 8-O-beta-D-glucopyranoside

Mol. Formula:
C21H24O10

M.W.:
436.41

Type:
---

AlogP:
-0.56

Polar Surface Area:
166.28

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5218462

Name:
2,3-epoxysesamone

Mol. Formula:
C15H14O5

M.W.:
274.27

Type:
---

AlogP:
1.97

Polar Surface Area:
87.13

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5086549

Name:
(4S,8S)-1-(Furan-3-yl)-9-hydroxy-4,8-dimethylnonane-1,6-dione

Mol. Formula:
C15H22O4

M.W.:
266.34

Type:
Unknown

AlogP:
2.86

Polar Surface Area:
67.51

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5084067

Name:
5-fluoro-4-(1-isopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(5-((4-isopropylpiShow More⌵

Mol. Formula:
C27H33FN8

M.W.:
488.62

75 activity values

26 unique targets

Type:
Unknown

AlogP:
4.88

Polar Surface Area:
75.00

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5079882

Name:
Asarifolin I

Mol. Formula:
C66H116O24

M.W.:
1293.63

4 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4879369

Name:
2-(2,3-dichlorophenyl)-8-((diethylamino)methyl)-3,7-dihydroxy-4H-chromen-4-Show More⌵

Mol. Formula:
C20H19Cl2NO4

M.W.:
408.28

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
73.91

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4879180

Name:
2-(2,4-dimethoxyphenyl)-3-hydroxy-9-(1-methylpiperidin-4-yl)-9,10-dihydrochShow More⌵

Mol. Formula:
C25H28N2O6

M.W.:
452.51

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
84.61

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4878528

Name:
2-(3,4-dichlorophenyl)-3-hydroxy-9-((tetrahydro-2H-pyran-4-yl)methyl)-9,10-Show More⌵

Mol. Formula:
C23H21Cl2NO5

M.W.:
462.33