Compounds

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4742976

Name:
2-bromo-N-(3-chloro-4-methoxyphenyl)-2,2-difluoro-
Show More⌵

Mol. Formula:
C23H20BrClF2N2O3S

M.W.:
557.84

Type:
Unknown

AlogP:
5.83

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4741344

Name:
N,N,5-trimethyl-4-nitro-isoxazole-3-carboxamide

Mol. Formula:
C7H9N3O4

M.W.:
199.17

Type:
Unknown

AlogP:
0.59

Polar Surface Area:
89.48

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4740507

Name:
1-(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)pro
Show More⌵

Mol. Formula:
C20H20Cl2N2O2

M.W.:
391.30

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4765119

Name:
1-(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)-3-
Show More⌵

Mol. Formula:
C23H26Cl2N2OSi

M.W.:
445.47

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4764852

Name:
1-(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)-3-
Show More⌵

Mol. Formula:
C20H19Cl2N3O3

M.W.:
420.30

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
66.69

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4762626

Name:
(3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(5-met
Show More⌵

Mol. Formula:
C16H14N4O4

M.W.:
326.31

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
105.27

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4761568

Name:
(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)(3-br
Show More⌵

Mol. Formula:
C21H20BrCl2N3O2

M.W.:
497.22

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
45.14

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4761247

Name:
N-heptyl-5-methyl-4-nitro-N-m-tolylisoxazole-3-car
Show More⌵

Mol. Formula:
C19H25N3O4

M.W.:
359.43

Type:
Unknown

AlogP:
4.82

Polar Surface Area:
89.48

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4760983

Name:
N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-(phenethyl
Show More⌵

Mol. Formula:
C27H29ClN2O3SSi

M.W.:
525.15

5 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4758630

Name:
2-(4-(bis(4-chlorophenyl)methyl)piperazine-1-carbo
Show More⌵

Mol. Formula:
C22H21Cl2N3O

M.W.:
414.34

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
47.34

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4758354

Name:
N-(2-(allyloxy)benzyl)-N-(benzo[d][1,3]dioxol-5-yl
Show More⌵

Mol. Formula:
C22H19N3O7

M.W.:
437.41

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
117.17

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4758051

Name:
methyl 4-(4-(bis(4-chlorophenyl)methyl)piperazin-1
Show More⌵

Mol. Formula:
C22H22Cl2N2O3

M.W.:
433.34

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4757990

Name:
(1R,3R)-methyl 2-(2-chloroacetyl)-1-(4-(methoxycar
Show More⌵

Cas Number:
1219810-15-7

Mol. Formula:
C23H21ClN2O5

M.W.:
440.88

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
88.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4757878

Name:
1-(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)-2-
Show More⌵

Mol. Formula:
C19H19Cl3N2O

M.W.:
397.73

15 activity values

11 unique targets

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4756558

Name:
1-(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)-2-
Show More⌵

Mol. Formula:
C22H22BrCl2N3O2

M.W.:
511.25

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
45.14

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4780750

Name:
N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-(phenethyl
Show More⌵

Mol. Formula:
C30H35ClN2O3SSi

M.W.:
567.23

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4780613

Name:
(1R,3R)-methyl 1-(4-(methoxycarbonyl)phenyl)-2-(5-
Show More⌵

Mol. Formula:
C26H22N4O8

M.W.:
518.48

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
157.87

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4779501

Name:
1-(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)pro
Show More⌵

Mol. Formula:
C20H18Cl2N2O

M.W.:
373.28

14 activity values

11 unique targets

Type:
Unknown

AlogP:
3.86

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4779048

Name:
N-(3-chloro-4-methoxyphenyl)-3-(hydroxyimino)-3-ni
Show More⌵

Mol. Formula:
C24H23ClN4O6S

M.W.:
530.99