Compounds

ALA5272643

Name:
(E)-4-(2-fluoro-4,5-dimethoxystyryl)-N-hydroxybenzamide

Mol. Formula:
C17H16FNO4

M.W.:
317.32

Type:
---

AlogP:
3.13

Polar Surface Area:
67.79

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5272620

Name:
10-(2-(4-(pyrimidin-2-yl)piperazin-1-yl)ethyl)-10H-phenothiazine

Mol. Formula:
C22H23N5S

M.W.:
389.53

Type:
---

AlogP:
3.90

Polar Surface Area:
35.50

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5271917

Name:
4-(2-(2-(methylthio)-10H-phenothiazin-10-yl)ethyl)morpholine

Mol. Formula:
C19H22N2OS2

M.W.:
358.53

Type:
---

AlogP:
4.34

Polar Surface Area:
15.71

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5271876

Name:
2-(4-cyclohexylbenzamido)-5-(trifluoromethyl)benzoic acid

Mol. Formula:
C21H20F3NO3

M.W.:
391.39

Type:
---

AlogP:
5.70

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5271304

Name:
5-methoxy-2-((4'-methoxy-[1,1'-biphenyl])-4-sulfonamido)benzoic acid

Mol. Formula:
C21H19NO6S

M.W.:
413.45

Type:
---

AlogP:
3.87

Polar Surface Area:
101.93

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5271269

Name:
N-(((5-chloro-2-hydroxyphenyl)(methyl)amino)methyl)-3-(morpholinosulfonyl)bShow More⌵

Mol. Formula:
C19H22ClN3O5S

M.W.:
439.92

Type:
---

AlogP:
1.89

Polar Surface Area:
99.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5270909

Name:
3-(10H-phenothiazin-10-yl)-N-(2-(piperidin-1-yl)ethyl)propan-1-amine

Mol. Formula:
C22H29N3S

M.W.:
367.56

Type:
---

AlogP:
4.75

Polar Surface Area:
18.51

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5270889

Name:
4'-chloro-N-(5-methoxy-2-(1H-tetrazol-5-yl)phenyl)-[1,1'-biphenyl]-4-sulfonShow More⌵

Mol. Formula:
C20H16ClN5O3S

M.W.:
441.90

Type:
---

AlogP:
4.00

Polar Surface Area:
109.86

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5270773

Name:
4-cyclohexyl-N-(4-fluoro-2-(1H-tetrazol-5-yl)phenyl)benzenesulfonamide

Mol. Formula:
C19H20FN5O2S

M.W.:
401.47

Type:
---

AlogP:
3.85

Polar Surface Area:
100.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5270542

Name:
N-(4-methoxy-2-(1H-tetrazol-5-yl)phenyl)-4'-methyl-[1,1'-biphenyl]-4-sulfonShow More⌵

Mol. Formula:
C21H19N5O3S

M.W.:
421.48

Type:
---

AlogP:
3.65

Polar Surface Area:
109.86

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5270361

Name:
3-(1-methyl-1H-indol-2-yl)-3-oxo-N-(1-(4-(piperidin-4-yloxy)benzyl)-1,2,3,4Show More⌵

Mol. Formula:
C33H36N4O3

M.W.:
536.68

Type:
---

AlogP:
5.47

Polar Surface Area:
75.60

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5270318

Name:
N-(4-fluoro-2-(1H-tetrazol-5-yl)phenyl)-4'-(trifluoromethyl)-[1,1'-biphenylShow More⌵

Mol. Formula:
C20H13F4N5O2S

M.W.:
463.42

Type:
---

AlogP:
4.49

Polar Surface Area:
100.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5270254

Name:
N-(4-nitrophenethyl)-3-(phenylsulfonamido)benzamide

Mol. Formula:
C21H19N3O5S

M.W.:
425.47

Type:
---

AlogP:
3.37

Polar Surface Area:
118.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5269661

Name:
4-(5-(10H-phenothiazin-10-yl)pentyl)morpholine

Mol. Formula:
C21H26N2OS

M.W.:
354.52

Type:
---

AlogP:
4.79

Polar Surface Area:
15.71

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5269561

Name:
N-(2-(10H-phenothiazin-10-yl)ethyl)-2-morpholinoethan-1-amine

Mol. Formula:
C20H25N3OS

M.W.:
355.51

Type:
---

AlogP:
3.21

Polar Surface Area:
27.74

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5269467

Name:
4,5-difluoro-2-((4'-methyl-[1,1'-biphenyl])-4-sulfonamido)benzoic acid

Mol. Formula:
C20H15F2NO4S

M.W.:
403.41

Type:
---

AlogP:
4.44

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5269441

Name:
N-(5-bromo-2-(1H-tetrazol-5-yl)phenyl)-4'-methyl-[1,1'-biphenyl]-4-sulfonamShow More⌵

Mol. Formula:
C20H16BrN5O2S

M.W.:
470.35

Type:
---

AlogP:
4.41

Polar Surface Area:
100.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5269223

Name:
4-(2-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethyl)morpholine

Mol. Formula:
C19H19F3N2OS

M.W.:
380.44

Type:
---

AlogP:
4.64

Polar Surface Area:
15.71

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5269197

Name:
4-(2-(10H-phenothiazin-10-yl)ethyl)-2-methylmorpholine

Mol. Formula:
C19H22N2OS

M.W.:
326.47

Type:
---

AlogP:
4.01

Polar Surface Area:
15.71

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5269170

Name:
1-(4-(2-(10H-phenothiazin-10-yl)ethyl)piperazin-1-yl)ethan-1-one

Mol. Formula:
C20H23N3OS

M.W.:
353.49

Type:
---

AlogP:
3.45

Polar Surface Area:
26.79

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS