Compounds

ALA5272672

Name:
2-((5-(7-bromo-3-methyl-1-oxo-1,2-dihydronaphthalen-2-yl)-4H-1,2,4-triazol-Show More⌵

Mol. Formula:
C25H21Br2ClN4O2S

M.W.:
636.80

Type:
---

AlogP:
6.08

Polar Surface Area:
87.74

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5272539

Name:
3-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylquinazolin-4(3H)-one

Mol. Formula:
C11H8N4O2S

M.W.:
260.28

Type:
---

AlogP:
1.37

Polar Surface Area:
73.81

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5272535

Name:
4-chloro-N-((2-(2-chlorophenyl)-1H-benzo[d]imidazol-1-yl)methyl)benzamide

Mol. Formula:
C21H15Cl2N3O

M.W.:
396.28

Type:
---

AlogP:
5.40

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5272407

Name:
Oleanolic coffeate

Mol. Formula:
C39H54O6

M.W.:
618.86

Type:
---

AlogP:
8.91

Polar Surface Area:
104.06

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5272396

Name:
6-(2,3-dichlorophenyl)-3-(5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yShow More⌵

Mol. Formula:
C21H15Cl2F2N3

M.W.:
418.27

Type:
---

AlogP:
6.08

Polar Surface Area:
37.28

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5272338

Name:
(1S,2R,4aS,6aS,6bR,8aR,9R,10R,12aS,12bR,14bS)-9-(acetoxymethyl)-10-hydroxy-Show More⌵

Mol. Formula:
C32H46O7

M.W.:
542.71

Type:
---

AlogP:
4.99

Polar Surface Area:
117.97

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5272138

Name:
3-(5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)-6-(4-fluorophenyl)-2Show More⌵

Mol. Formula:
C21H16F3N3

M.W.:
367.37

Type:
---

AlogP:
4.91

Polar Surface Area:
37.28

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5272016

Name:
4-(1-(4-fluorophenyl)-3-(methylthio)-1H-1,2,4-triazol-5-yl)benzenesulfonamiShow More⌵

Mol. Formula:
C15H13FN4O2S2

M.W.:
364.43

Type:
---

AlogP:
2.44

Polar Surface Area:
90.87

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5271728

Name:
2-(3-{[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino}-2-oxopropyl)-3Show More⌵

Mol. Formula:
C30H27N5O4S

M.W.:
553.64

Type:
---

AlogP:
4.07

Polar Surface Area:
109.32

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5271602

Name:
2-((5-(7-bromo-3-methyl-1-oxo-1,2-dihydronaphthalen-2-yl)-4H-1,2,4-triazol-Show More⌵

Mol. Formula:
C23H20BrN5O2S

M.W.:
510.42

Type:
---

AlogP:
4.50

Polar Surface Area:
100.10

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5271523

Name:
5-(aminomethyl)-1-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-4-(2,5-difluorophenyShow More⌵

Mol. Formula:
C22H24F2N2O3

M.W.:
402.44

Type:
---

AlogP:
3.22

Polar Surface Area:
64.79

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5271488

Name:
6-(2,4,5-triphenyl-1H-imidazol-1-yl)hexanoic acid

Mol. Formula:
C27H26N2O2

M.W.:
410.52

Type:
---

AlogP:
6.53

Polar Surface Area:
55.12

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5271474

Name:
5-(4-chlorophenyl)-3-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazole

Mol. Formula:
C19H15ClN2

M.W.:
306.80

Type:
---

AlogP:
4.93

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5271376

Name:
3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole

Mol. Formula:
C15H12Cl2N2

M.W.:
291.18

Type:
---

AlogP:
4.43

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5271352

Name:
1-(4-chlorophenyl)-3-{4-[5-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-Show More⌵

Mol. Formula:
C29H24ClFN4O3S

M.W.:
563.05

Type:
---

AlogP:
6.65

Polar Surface Area:
90.87

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5271244

Name:
3-(2-fluorophenyl)-2-(pyridin-4-yl)-3,4-dihydroquinazolin-4-one

Mol. Formula:
C19H12FN3O

M.W.:
317.32

Type:
---

AlogP:
3.59

Polar Surface Area:
47.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5271241

Name:
2-((5-(7-bromo-3-methyl-1-oxo-1,2-dihydronaphthalen-2-yl)-4H-1,2,4-triazol-Show More⌵

Mol. Formula:
C25H20Br3ClN4O2S

M.W.:
715.69

Type:
---

AlogP:
6.85

Polar Surface Area:
87.74

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5271229

Name:
2-(5-(2-methyl-4-oxoquinazolin-3(4H)-yl)-1,3,4-oxadiazol-2-yl)benzoic acid

Mol. Formula:
C18H12N4O4

M.W.:
348.32

Type:
---

AlogP:
2.44

Polar Surface Area:
111.11

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5271013

Name:
2-((5-(7-bromo-3-methyl-1-oxo-1,2-dihydronaphthalen-2-yl)-4H-1,2,4-triazol-Show More⌵

Mol. Formula:
C25H20BrCl3N4O2S

M.W.:
626.79

Type:
---

AlogP:
6.63

Polar Surface Area:
87.74

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5270857

Name:
3-(5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl)-2-methylquinazolin-4(3H)-one

Mol. Formula:
C17H13N5O2

M.W.:
319.32

Type:
---

AlogP:
2.33

Polar Surface Area:
99.83

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS