Compounds

ALA5271141

Name:
4-[[4-[[4-(3-chlorophenyl)thiazol-2-yl]amino]phenyl]methyl]oxazolidin-2-one

Mol. Formula:
C19H16ClN3O2S

M.W.:
385.88

Type:
---

AlogP:
4.86

Polar Surface Area:
63.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5271017

Name:
7-(sec-butyl)-6-imino-5-(4-methoxyphenyl)-6,7-dihydro-1H-pyrano[2,3-d:6,5-dShow More⌵

Mol. Formula:
C20H21N5O4

M.W.:
395.42

Type:
---

AlogP:
2.00

Polar Surface Area:
125.85

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5270953

Name:
5,9,10-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-Show More⌵

Mol. Formula:
C23H22O6

M.W.:
394.42

Type:
---

AlogP:
4.76

Polar Surface Area:
100.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5270923

Name:
N-((2S,3R,4R,5R,6R)-2-(((2S,3R,4R,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroShow More⌵

Mol. Formula:
C42H72N4O16

M.W.:
889.05

Type:
---

AlogP:
-0.84

Polar Surface Area:
311.82

HBA:
17

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5270904

Name:
Skyllamycin B

Mol. Formula:
C74H92N12O20

M.W.:
1469.61

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5270886

Name:
2-((6-bromo-2-chloroquinolin-3-yl)methylene)-4,6-dihydroxybenzofuran-3(2H)-Show More⌵

Mol. Formula:
C18H9BrClNO4

M.W.:
418.63

Type:
---

AlogP:
4.68

Polar Surface Area:
79.65

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5270794

Name:
2-(phenylamino)-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine-3-carShow More⌵

Mol. Formula:
C16H15N5O

M.W.:
293.33

Type:
---

AlogP:
2.06

Polar Surface Area:
85.31

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5270528

Name:
N-((2S,3R,4R,5R,6R)-2-(((2S,3R,4R,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroShow More⌵

Mol. Formula:
C40H68N4O16

M.W.:
861.00

Type:
---

AlogP:
-1.62

Polar Surface Area:
311.82

HBA:
17

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5269906

Name:
N-((2S,3R,4R,5R,6R)-2-(((2S,3R,4R,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroShow More⌵

Mol. Formula:
C42H70N4O15

M.W.:
871.04

Type:
---

AlogP:
-0.03

Polar Surface Area:
291.59

HBA:
16

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5269869

Name:
16beta,17-dihydroxykaurane

Mol. Formula:
C18H30O2

M.W.:
278.44

Type:
---

AlogP:
3.51

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5269768

Name:
7-((1,3-dioxooctahydro-2H-isoindol-2-yl)amino)-5-methylpyrazolo[1,5-a]pyrimShow More⌵

Mol. Formula:
C16H16N6O2

M.W.:
324.34

Type:
---

AlogP:
1.41

Polar Surface Area:
103.39

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5269639

Name:
3-(phenyldiazenyl)-7-(4-(phenylsulfonyl)phenyl)pyrazolo[1,5-a]pyrimidin-2-aShow More⌵

Mol. Formula:
C24H18N6O2S

M.W.:
454.52

Type:
---

AlogP:
5.23

Polar Surface Area:
115.07

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5269495

Name:
Fuligopyrone B

Mol. Formula:
C18H16ClNO5

M.W.:
361.78

Type:
---

AlogP:
2.63

Polar Surface Area:
99.77

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5269074

Name:
dimethyl 1-(2-(6-bromo-2-oxo-2H-chromen-3-yl)-2-oxoethyl)-1H-1,2,3-triazoleShow More⌵

Mol. Formula:
C17H12BrN3O7

M.W.:
450.20

Type:
---

AlogP:
1.60

Polar Surface Area:
130.59

HBA:
10

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5268952

Name:
2-((2-chloroquinolin-3-yl)methylene)-4,6-dihydroxybenzofuran-3(2H)-one

Mol. Formula:
C18H10ClNO4

M.W.:
339.73

Type:
---

AlogP:
3.92

Polar Surface Area:
79.65

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5268712

Name:
Pandensenol C; 1-(2'-hydroxy-2'-methylethyl)cyclohex-1-enyl methyl ester

Mol. Formula:
C17H22O3

M.W.:
274.36

Type:
---

AlogP:
3.34

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5268615

Name:
Norrhizocarpic acid

Mol. Formula:
C27H21NO6

M.W.:
455.47

Type:
---

AlogP:
3.74

Polar Surface Area:
112.93

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5268167

Name:
decyl-(2-hydroxyethyl)-dimethyl-ammonium benzoate

Mol. Formula:
C21H37NO3

M.W.:
351.53

Type:
---

AlogP:
3.20

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5282602

Name:
2-hydroxy-4-(2-hydroxy-4-((2S)-3-hydroxy-2-(4-((E)-3-(4-hydroxyphenyl)-2-meShow More⌵

Mol. Formula:
C37H36N4O12

M.W.:
728.71

Type:
---

AlogP:
3.93

Polar Surface Area:
253.08

HBA:
11

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5282563

Name:
5-((5-bromo-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl)quinolin-8Show More⌵

Mol. Formula:
C17H13BrN6O

M.W.:
397.24

Type:
---

AlogP:
5.01

Polar Surface Area:
99.41

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS