Compounds

Type:
---

AlogP:
-0.93

Polar Surface Area:
255.50

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5191596

Name:
Octyl(R)-5-amino-4-((S)-2-((R)-2-(((2S,3R,4R,5S,6R)-3-azido-2-(benzyloxy)-5Show More⌵

Mol. Formula:
C32H50N6O10

M.W.:
678.78

4 activity values

3 unique targets

Type:
---

AlogP:
1.89

Polar Surface Area:
244.50

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5185163

Name:
Benzyl(R)-5-amino-4-((S)-2-((R)-2-(((2R,4aR,6S,7R,8R,8aS)-7-azido-6-(benzylShow More⌵

Mol. Formula:
C38H44N6O10

M.W.:
744.80

Type:
---

AlogP:
3.49

Polar Surface Area:
222.50

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5094245

Name:
(4-bromophenyl)(1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl)methanol

Mol. Formula:
C15H11BrFN3O

M.W.:
348.18

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5094200

Name:
methyl 4-(4-(hydroxy(2-phenylpyridin-3-yl)methyl)-1H-1,2,3-triazol-1-yl)benShow More⌵

Mol. Formula:
C22H18N4O3

M.W.:
386.41

Type:
Unknown

AlogP:
3.20

Polar Surface Area:
90.13

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5092883

Name:
(1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl)(2-fluorophenyl)methanol

Mol. Formula:
C15H11BrFN3O

M.W.:
348.18

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5091972

Name:
(1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl)(phenyl)methanol

Mol. Formula:
C15H12BrN3O

M.W.:
330.19

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5083564

Name:
6-(4-(biphenyl-2-yl(hydroxy)methyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one

Mol. Formula:
C24H17N3O3

M.W.:
395.42

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
81.15

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5082731

Name:
(2-bromophenyl)(1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl)methanol

Mol. Formula:
C15H11Br2N3O

M.W.:
409.08

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5081702

Name:
1-(4-(4-(biphenyl-2-yl(hydroxy)methyl)-1H-1,2,3-triazol-1-yl)phenyl)ethanonShow More⌵

Mol. Formula:
C23H19N3O2

M.W.:
369.42

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
68.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5079192

Name:
6-(4-((2-bromophenyl)(hydroxy)methyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-oShow More⌵

Mol. Formula:
C18H12BrN3O3

M.W.:
398.22

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
81.15

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5078780

Name:
(1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl)(2-nitrophenyl)methanol

Mol. Formula:
C15H11BrN4O3

M.W.:
375.18

Type:
Unknown

AlogP:
3.02

Polar Surface Area:
94.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4878790

Name:
4-fluoro-N-(4-(3-(trifluoromethyl)phenoxy)pyrimidin-5-yl)benzamide

Mol. Formula:
C18H11F4N3O2

M.W.:
377.30

2 activity values

Type:
Unknown

AlogP:
4.68

Polar Surface Area:
64.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4878497

Name:
1-Aldehyde-4-acetoxy-7,8-didehydro-3,7-dimethoxy-17-methylmorphinan-6-one

Mol. Formula:
C22H25NO6

M.W.:
399.44

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
82.14

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4876868

Name:
4-Myristoyloxy-7,8-didehydro-3,7-dimethoxy-17-methylmorphinan-6-one

Mol. Formula:
C33H49NO5

M.W.:
539.76

4 activity values

Type:
Unknown

AlogP:
6.92

Polar Surface Area:
65.07

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4876701

Name:
1-Erucoyloxymethylene-4-erucoyloxy-7,8-didehydro-3,7-dimethoxy-17-methylmorShow More⌵

Mol. Formula:
C64H105NO7

M.W.:
1000.54

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4875612

Name:
N-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-3-methyl-1-(3,3,3-triflShow More⌵

Mol. Formula:
C15H15BF3N3O3

M.W.:
353.11

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4875601

Name:
1-(10-undecenoyloxymethylene)-4-(10-undecenoyloxy)-7,8-didehydro-3,7-dimethShow More⌵

Mol. Formula:
C42H61NO7

M.W.:
691.95