Compounds

ALA5267702

Name:
4-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbonyl]benzene-Show More⌵

Mol. Formula:
C23H21N3O4S

M.W.:
435.51

Type:
---

AlogP:
3.33

Polar Surface Area:
102.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5267361

Name:
[1-(4-Sulfamoylpheny1)-1H-1,2,3-triazol-4-yl]methyl 2-(2-chlorophenyl)-1,3-Show More⌵

Mol. Formula:
C24H16ClN5O6S

M.W.:
537.94

Type:
---

AlogP:
2.73

Polar Surface Area:
154.55

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5267008

Name:
4-(4-((4-fluorophenyl)(hydroxyimino)methyl)piperazin-1-yl)benzenesulfonamidShow More⌵

Mol. Formula:
C17H19FN4O3S

M.W.:
378.43

Type:
---

AlogP:
1.43

Polar Surface Area:
99.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5266341

Name:
4-(7-isopropoxy-4-oxospiro[chromane-2,4'-piperidin]-1'-yl)-3-nitrobenzenesuShow More⌵

Mol. Formula:
C22H25N3O7S

M.W.:
475.52

Type:
---

AlogP:
3.03

Polar Surface Area:
142.07

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5266046

Name:
4-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonaShow More⌵

Mol. Formula:
C21H18BrN3O2S

M.W.:
456.37

Type:
---

AlogP:
4.45

Polar Surface Area:
75.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5265873

Name:
4-(7-ethoxy-4-oxospiro[chromane-2,4'-piperidin]-1'-yl)-3-nitrobenzenesulfonShow More⌵

Mol. Formula:
C21H23N3O7S

M.W.:
461.50

Type:
---

AlogP:
2.65

Polar Surface Area:
142.07

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5282415

Name:
4-[3-(4-hydroxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]benzenShow More⌵

Mol. Formula:
C19H17N3O3S2

M.W.:
399.50

Type:
---

AlogP:
3.46

Polar Surface Area:
95.99

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5281498

Name:
1-((2,6-dimethylphenyl)selanyl)propan-2-amine

Mol. Formula:
C11H17NSe

M.W.:
242.22

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5281480

Name:
4-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonShow More⌵

Mol. Formula:
C21H18ClN3O2S

M.W.:
411.91

Type:
---

AlogP:
4.34

Polar Surface Area:
75.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5280722

Name:
4-[3-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole-Show More⌵

Mol. Formula:
C26H27N3O7S

M.W.:
525.58

Type:
---

AlogP:
3.36

Polar Surface Area:
129.75

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5280715

Name:
4-[3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonShow More⌵

Mol. Formula:
C21H18FN3O2S

M.W.:
395.46

Type:
---

AlogP:
3.83

Polar Surface Area:
75.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5280569

Name:
4-[3-(4-methoxyphenyl)-5-(2,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-Show More⌵

Mol. Formula:
C25H27N3O6S

M.W.:
497.57

Type:
---

AlogP:
3.72

Polar Surface Area:
112.68

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5280535

Name:
4-((2-aminopropyl)selanyl)-N,N-dimethylaniline

Mol. Formula:
C11H18N2Se

M.W.:
257.24

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5280216

Name:
4-[5-(2-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbonyl]benzene-Show More⌵

Mol. Formula:
C23H21N3O4S

M.W.:
435.51

Type:
---

AlogP:
3.33

Polar Surface Area:
102.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5280008

Name:
4-(7-bromo-4-oxospiro[chromane-2,4'-piperidin]-1'-yl)-3-nitrobenzenesulfonaShow More⌵

Mol. Formula:
C19H18BrN3O6S

M.W.:
496.34

Type:
---

AlogP:
3.01

Polar Surface Area:
132.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5279810

Name:
4-(6-(2-hydroxyethoxy)-4-oxospiro[chromane-2,4'-piperidin]-1'-yl)-3-nitrobeShow More⌵

Mol. Formula:
C21H23N3O8S

M.W.:
477.50

Type:
---

AlogP:
1.62

Polar Surface Area:
162.30

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5279517

Name:
4-[3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbonyl]benzene-1Show More⌵

Mol. Formula:
C22H18FN3O3S

M.W.:
423.47

Type:
---

AlogP:
3.46

Polar Surface Area:
92.83

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5279227

Name:
4-(5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)Show More⌵

Mol. Formula:
C24H25N3O5S

M.W.:
467.55

Type:
---

AlogP:
3.72

Polar Surface Area:
103.45

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5279171

Name:
1-(phenylselanyl)propan-2-amine

Mol. Formula:
C9H13NSe

M.W.:
214.17

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5279074

Name:
1-((4-bromophenyl)thio)propan-2-amine

Mol. Formula:
C9H12BrNS

M.W.:
246.17

Type:
---

AlogP:
2.89

Polar Surface Area:
26.02

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS