Compounds

ALA5267205

Name:
Deoxycholate

Mol. Formula:
C23H37NaO4

M.W.:
400.54

Type:
---

AlogP:
4.09

Polar Surface Area:
77.76

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5267049

Name:
(E)-2-oxo-N'-(4-(2-oxo-2H-chromen-3-yl)-3-(m-tolyl)thiazol-2(3H)-ylidene)-2Show More⌵

Mol. Formula:
C29H19N3O5S

M.W.:
521.55

Type:
---

AlogP:
4.97

Polar Surface Area:
106.81

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5282136

Name:
2-(3-amino-5-(2-hydroxyphenyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl)-3-methylbShow More⌵

Mol. Formula:
C13H18N4O3

M.W.:
278.31

Type:
---

AlogP:
0.63

Polar Surface Area:
111.18

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5281090

Name:
2-(6-isoselenocyanatohexyl)-2,3-dihydro-1H-phenalene

Mol. Formula:
C20H23NSe

M.W.:
356.37

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5280901

Name:
2-(3-amino-5-(2-hydroxyphenyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl)-3-(1H-indShow More⌵

Mol. Formula:
C19H19N5O3

M.W.:
365.39

Type:
---

AlogP:
1.70

Polar Surface Area:
126.97

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5280866

Name:
6-amino-3-(benzo[d][1,3]dioxol-5-yl)-2H-chromen-2-one

Mol. Formula:
C16H11NO4

M.W.:
281.27

Type:
---

AlogP:
2.77

Polar Surface Area:
74.69

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5280320

Name:
Fnarthexone

Mol. Formula:
C24H26O4

M.W.:
378.47

Type:
---

AlogP:
4.93

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5278678

Name:
N-(3,4-dimethoxyphenethyl)-2-((5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl)Show More⌵

Mol. Formula:
C18H18N4O6S2

M.W.:
450.50

Type:
---

AlogP:
3.17

Polar Surface Area:
129.62

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5276893

Name:
2-(3-amino-5-(2-hydroxyphenyl)-5-methyl-1,5-dihydro-4H-1,2,4-triazol-4-yl)-Show More⌵

Mol. Formula:
C14H20N4O3

M.W.:
292.34

Type:
---

AlogP:
0.81

Polar Surface Area:
111.18

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5275722

Name:
Minutin A

Mol. Formula:
C19H22O6

M.W.:
346.38

Type:
---

AlogP:
4.04

Polar Surface Area:
89.13

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5273354

Name:
N-(3-methoxypropyl)-5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-amine

Mol. Formula:
C10H12N4O3S2

M.W.:
300.37

Type:
---

AlogP:
2.62

Polar Surface Area:
90.18

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5289359

Name:
(2Z)-2-[(2,5-dimethoxyphenyl)methylene]-4,6-dihydroxy-benzofuran-3-one

Mol. Formula:
C17H14O6

M.W.:
314.29

Type:
---

AlogP:
2.73

Polar Surface Area:
85.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5289160

Name:
(2S,3S)-3-(2-(3,3-dimethyloxiran-2-yl)-2-oxoethyl)-2,3,9-trimethyl-2H-furo[Show More⌵

Mol. Formula:
C20H22O5

M.W.:
342.39

Type:
---

AlogP:
3.28

Polar Surface Area:
69.04

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5287396

Name:
4-(4-methoxy-2-nitrophenylamino)-4-oxobutanoic acid

Mol. Formula:
C11H12N2O6

M.W.:
268.23

Type:
---

AlogP:
1.41

Polar Surface Area:
118.77

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5286652

Name:
8-hydroxy-3'',4''-dihydrocapnolactone-2', 3'-diol

Mol. Formula:
C19H22O8

M.W.:
378.38

Type:
---

AlogP:
1.33

Polar Surface Area:
126.43

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5286039

Name:
8-hydroxyisocapnolactone-2', 3'-diol

Mol. Formula:
C19H20O8

M.W.:
376.36

Type:
---

AlogP:
1.25

Polar Surface Area:
126.43

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5285906

Name:
(1S,2'S,3'R,7a'R)-3-(3-nitrobenzylidene)-2'-(3-nitrophenyl)-5',6',7',7a'-teShow More⌵

Mol. Formula:
C32H28N4O6

M.W.:
564.60

Type:
---

AlogP:
5.74

Polar Surface Area:
135.69

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5285069

Name:
3-((5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl)amino)propan-1-ol

Mol. Formula:
C9H10N4O3S2

M.W.:
286.34

Type:
---

AlogP:
1.97

Polar Surface Area:
101.18

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5268587

Name:
Minutin B

Mol. Formula:
C19H22O6

M.W.:
346.38

Type:
---

AlogP:
4.04

Polar Surface Area:
89.13

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5268042

Name:
N-benzyl-2-((5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl)thio)acetamide

Mol. Formula:
C15H12N4O4S2

M.W.:
376.42

Type:
---

AlogP:
3.11

Polar Surface Area:
111.16

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS