Compounds

ALA5272685

Name:
2-Hydroxy-1-(hydroxymethyl)-7,8-dimethoxy-3-methyl-9H-xanthen-9-one

Mol. Formula:
C17H16O6

M.W.:
316.31

Type:
---

AlogP:
2.47

Polar Surface Area:
89.13

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5272653

Name:
(S)-3-((2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl)aShow More⌵

Mol. Formula:
C18H19ClFN5O2

M.W.:
391.83

Type:
---

AlogP:
4.11

Polar Surface Area:
103.79

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5272280

Name:
(+)Spirotriscoumarin B

Mol. Formula:
C47H46O12

M.W.:
802.87

Type:
---

AlogP:
8.38

Polar Surface Area:
153.85

HBA:
12

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5272017

Name:
Rubrolide S

Mol. Formula:
C22H20O4

M.W.:
348.40

Type:
---

AlogP:
4.48

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5271430

Name:
Wailupemycin J

Mol. Formula:
C20H16O4

M.W.:
320.34

Type:
---

AlogP:
3.41

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5270947

Name:
2-Hydroxy-1-(hydroxymethyl)-8-methoxy-3-methyl-9H-xanthen-9-one

Mol. Formula:
C16H14O5

M.W.:
286.28

Type:
---

AlogP:
2.46

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5270835

Name:
(R)-3-cyclobutyl-3-((5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrShow More⌵

Mol. Formula:
C18H17F2N5O2

M.W.:
373.36

Type:
---

AlogP:
3.35

Polar Surface Area:
103.79

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5270370

Name:
Truncateol O

Mol. Formula:
C16H20O4

M.W.:
276.33

Type:
---

AlogP:
0.93

Polar Surface Area:
62.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5269476

Name:
Sanggenon D

Mol. Formula:
C40H36O12

M.W.:
708.72

Type:
---

AlogP:
6.25

Polar Surface Area:
214.44

HBA:
12

HBD:
8

#RO5 Violations:
4

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5269155

Name:
(-)Spirotriscoumarin B

Mol. Formula:
C47H46O12

M.W.:
802.87

Type:
---

AlogP:
8.38

Polar Surface Area:
153.85

HBA:
12

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5268199

Name:
Shegansu B

Mol. Formula:
C30H26O8

M.W.:
514.53

Type:
---

AlogP:
5.67

Polar Surface Area:
128.84

HBA:
8

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5268123

Name:
(R)-3-((5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)aShow More⌵

Mol. Formula:
C18H17F2N5O2

M.W.:
373.36

Type:
---

AlogP:
3.35

Polar Surface Area:
103.79

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5282704

Name:
6-O-Demethyl-4-dehydroxyaltersolanol A

Mol. Formula:
C15H14O7

M.W.:
306.27

Type:
---

AlogP:
-0.35

Polar Surface Area:
135.29

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5282487

Name:
Albonoursin

Mol. Formula:
C16H20N2O2

M.W.:
272.35

Type:
---

AlogP:
2.08

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5281602

Name:
Sanggenon G

Mol. Formula:
C40H38O11

M.W.:
694.73

Type:
---

AlogP:
7.48

Polar Surface Area:
205.21

HBA:
11

HBD:
8

#RO5 Violations:
4

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5281405

Name:
(R)-3-((5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)aShow More⌵

Mol. Formula:
C19H19F2N5O2

M.W.:
387.39

Type:
---

AlogP:
3.74

Polar Surface Area:
103.79

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5280993

Name:
(+/-)-4-ethyl-3-((5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimiShow More⌵

Mol. Formula:
C19H21F2N5O2

M.W.:
389.41

Type:
---

AlogP:
3.99

Polar Surface Area:
103.79

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5280871

Name:
(R)-3-((5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)aShow More⌵

Mol. Formula:
C20H21F2N5O2

M.W.:
401.42

Type:
---

AlogP:
4.13

Polar Surface Area:
103.79

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5280401

Name:
rac-3-((5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)aShow More⌵

Mol. Formula:
C21H23F2N5O2

M.W.:
415.44

Type:
---

AlogP:
4.52

Polar Surface Area:
103.79

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5280237

Name:
2-((2,4-dihydroxyphenyl)diazenyl)benzoic acid

Mol. Formula:
C13H10N2O4

M.W.:
258.23

Type:
---

AlogP:
3.21

Polar Surface Area:
102.48

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS