Compounds

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
61.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4875978

Name:
Rac-(2,3-Dichlorophenyl)(5-methoxy-2-methyl-3-(2-morpholinoethyl)indolin-1-Show More⌵

Mol. Formula:
C23H26Cl2N2O3

M.W.:
449.38

6 activity values

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4875551

Name:
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)phenyl)benzenesulfonamide

Mol. Formula:
C23H25N3O3S

M.W.:
423.54

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
61.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4874310

Name:
Trans-N-(2-(4-Phenylpiperidin-1-yl)cyclohexyl)benzenesulfonamide

Mol. Formula:
C23H30N2O2S

M.W.:
398.57

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4870275

Name:
Trans-N-(2-(4-(4-Methylbenzyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide

Mol. Formula:
C24H33N3O2S

M.W.:
427.61

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
52.65

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4858349

Name:
Trans-N-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)cyclohexyl)benzamide

Mol. Formula:
C24H31N3O2

M.W.:
393.53

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4857820

Name:
Trans-N-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)cyclohexyl)-4-methylbenzenesuShow More⌵

Mol. Formula:
C24H33N3O3S

M.W.:
443.61

9 activity values

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
61.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4856363

Name:
Trans-N-(2-(4-Phenethylpiperazin-1-yl)cyclohexyl)benzenesulfonamide

Mol. Formula:
C24H33N3O2S

M.W.:
427.61

Type:
Unknown

AlogP:
3.14

Polar Surface Area:
52.65

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4856325

Name:
Trans-N-(2-(4-Methylpiperazin-1-yl)cyclohexyl)benzenesulfonamide

Mol. Formula:
C17H27N3O2S

M.W.:
337.49

Type:
Unknown

AlogP:
1.52

Polar Surface Area:
52.65

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4856175

Name:
Rac-Trans-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonaShow More⌵

Mol. Formula:
C23H31N3O3S

M.W.:
429.59

21 activity values

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
61.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4855846

Name:
Trans-N-(2-(4-(3-(Trifluoromethyl)phenyl)piperazin-1-yl)cyclohexyl)benzenesShow More⌵

Mol. Formula:
C23H28F3N3O2S

M.W.:
467.56

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
52.65

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4855589

Name:
Trans-N-(2-(4-(2-Methoxyphenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide

Mol. Formula:
C24H32N2O3S

M.W.:
428.60

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

(1R,2R)-ML-SI3

Name:
(+)-Trans-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonaShow More⌵

Mol. Formula:
C23H31N3O3S

M.W.:
429.59

9 activity values

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
61.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4851134

Name:
Trans-N-(2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)cyclohexyl)benzenesulfonamidShow More⌵

Mol. Formula:
C21H26N2O2S

M.W.:
370.52

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4849322

Name:
Trans-N-(2-(4-Phenylpiperazin-1-yl)cyclohexyl)benzenesulfonamide

Mol. Formula:
C22H29N3O2S

M.W.:
399.56

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
52.65

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4847300

Name:
Trans-N-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)cyclohexyl)thiophene-2-sulfonShow More⌵

Mol. Formula:
C21H29N3O3S2

M.W.:
435.62