Compounds

ALA5267689

Name:
2-(4-(ethylsulfonyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e]Show More⌵

Mol. Formula:
C15H15F3N4O5S2

M.W.:
452.44

Type:
---

AlogP:
2.06

Polar Surface Area:
113.72

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5267488

Name:
N-ethyl-4-(2-(pyridin-4-ylmethyl)-2H-tetrazol-5-yl)benzenesulfonamide

Mol. Formula:
C15H16N6O2S

M.W.:
344.40

Type:
---

AlogP:
1.08

Polar Surface Area:
102.66

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5267478

Name:
Cyclostelletamine J

Mol. Formula:
C34H56N2+2

M.W.:
492.84

Type:
---

AlogP:
8.86

Polar Surface Area:
7.76

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5267393

Name:
5,9,17-trioxa-6,8-diazaphenanthro[4,3,2-ij]tetraphene-7,16(8H,15cH)-dione

Mol. Formula:
C24H12N2O5

M.W.:
408.37

Type:
---

AlogP:
4.42

Polar Surface Area:
94.42

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5267223

Name:
4-(2-((5-cyanopyridin-2-yl)methyl)-2H-tetrazol-5-yl)-N-(2-hydroxyethyl)-2-mShow More⌵

Mol. Formula:
C17H17N7O4S

M.W.:
415.44

Type:
---

AlogP:
-0.07

Polar Surface Area:
155.91

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5267156

Name:
8-nitro-2-(5-(4-(trifluoromethoxy)benzyl)hexahydropyrrolo[3,4-c]pyrrol-2(1HShow More⌵

Mol. Formula:
C23H18F6N4O4S

M.W.:
560.48

Type:
---

AlogP:
5.05

Polar Surface Area:
88.81

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5267127

Name:
N-(4-methoxyphenyl)-2-(piperazin-1-yl)thieno[2,3-d]thiazole-5-carboxamide

Mol. Formula:
C17H18N4O2S2

M.W.:
374.49

Type:
---

AlogP:
3.03

Polar Surface Area:
66.49

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5267124

Name:
(2R)-2-[[(2S)-1-[(2R)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[Show More⌵

Mol. Formula:
C62H86BrN15O15

M.W.:
1361.36

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5267105

Name:
4-((1-((3-oxo-3H-benzo[f]chromen-1-yl)methyl)-1H-1,2,3-triazol-4-yl)methyl)Show More⌵

Mol. Formula:
C25H18N6O3

M.W.:
450.46

Type:
---

AlogP:
2.98

Polar Surface Area:
100.74

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5267083

Name:
1-acetyl-2-(3-(quinolin-3-yl)benzylidene)indolin-3-one

Mol. Formula:
C26H18N2O2

M.W.:
390.44

Type:
---

AlogP:
5.49

Polar Surface Area:
50.27

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5267047

Name:
(4R,5S,6S)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-3-((2-oxo-2-propoxyethyl)tShow More⌵

Mol. Formula:
C15H21NO6S

M.W.:
343.40

Type:
---

AlogP:
0.83

Polar Surface Area:
104.14

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5267004

Name:
N1-(3,5-Dimethylphenyl)-N2-(4-hydroxy-6-methoxy-2-methylquinolin-3-yl)oxalaShow More⌵

Mol. Formula:
C21H21N3O4

M.W.:
379.42

Type:
---

AlogP:
3.45

Polar Surface Area:
100.55

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5266965

Name:
N-(3-(2-(4-(3-methoxyphenyl)thiazol-2-yl)hydrazineylidene)-1,5-dimethyl-2-pShow More⌵

Mol. Formula:
C28H26N6OS

M.W.:
494.62

Type:
---

AlogP:
5.93

Polar Surface Area:
68.73

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5266946

Name:
N-(3-chlorophenyl)-2-((4-fluorophenyl)amino)-7-hydroxy-5-methylpyrazolo[1,5Show More⌵

Mol. Formula:
C20H15ClFN5O2

M.W.:
411.82

Type:
---

AlogP:
4.53

Polar Surface Area:
91.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5266929

Name:
1-acetyl-2-(4-(isopropylamino)benzylidene)indolin-3-one

Mol. Formula:
C20H20N2O2

M.W.:
320.39

Type:
---

AlogP:
4.10

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5266926

Name:
2-((6,7-Dimethoxy-2-methylquinolin-4-yl)oxy)-N-(3,5-dimethylphenyl)acetamidShow More⌵

Mol. Formula:
C22H24N2O4

M.W.:
380.44

Type:
---

AlogP:
4.19

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5266844

Name:
N-(4-ethoxyphenyl)-7-hydroxy-5-methyl-2-(phenylamino)pyrazolo[1,5-a]pyrimidShow More⌵

Mol. Formula:
C22H21N5O3

M.W.:
403.44

Type:
---

AlogP:
4.14

Polar Surface Area:
100.78

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5266800

Name:
3-(2-Aminobenzo[d]oxazol-5-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-Show More⌵

Mol. Formula:
C15H13N5O2S

M.W.:
327.37

Type:
---

AlogP:
2.70

Polar Surface Area:
110.74

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5266777

Name:
2-((6-Methoxy-2-methylquinolin-4-yl)oxy)-N-(3-oxoisoxazolidin-4-yl)acetamidShow More⌵

Mol. Formula:
C16H17N3O5

M.W.:
331.33

Type:
---

AlogP:
0.48

Polar Surface Area:
98.78

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5266769

Name:
5-(2,4-dimethylthiazol-5-yl)-1,3,4-oxadiazole-2-thiol

Mol. Formula:
C7H7N3OS2

M.W.:
213.29

Type:
---

AlogP:
2.10

Polar Surface Area:
51.81

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS