Compounds

Type:
Unknown

AlogP:
6.41

Polar Surface Area:
141.74

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5090957

Name:
2-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyriShow More⌵

Mol. Formula:
C23H17ClN6O4S

M.W.:
508.95

6 activity values

4 unique targets

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
141.74

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5090755

Name:
[N-[2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methyl-pyrazol-3-yl)-6-methyShow More⌵

Mol. Formula:
C25H22ClN9O2S

M.W.:
548.03

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
157.07

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5089592

Name:
N-(1,3-benzoxazol-2-yl)-7-(1,3-benzoxazol-2-ylamino)-9-methyl-6,8-diazaspirShow More⌵

Mol. Formula:
C24H22N6O3

M.W.:
442.48

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
117.58

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5085554

Name:
2-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyriShow More⌵

Mol. Formula:
C26H20ClN5O4

M.W.:
501.93

1 unique targets

Type:
Unknown

AlogP:
5.20

Polar Surface Area:
128.85

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5084931

Name:
N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methyl-pShow More⌵

Mol. Formula:
C24H19ClN8O3

M.W.:
502.92

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
135.40

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5084217

Name:
methyl-2-(5-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-1,4-dShow More⌵

Mol. Formula:
C24H20ClN7O4S

M.W.:
537.99

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
143.63

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5082955

Name:
ethyl-3-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-1,4-dihydShow More⌵

Mol. Formula:
C28H24ClN5O4

M.W.:
529.98

Type:
Unknown

AlogP:
5.68

Polar Surface Area:
117.85

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5082888

Name:
2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)-N-(3-(2-hydroxyethyl)phenylShow More⌵

Mol. Formula:
C27H24ClN5O3

M.W.:
501.97

2 activity values

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
111.78

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5081596

Name:
methyl-5-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-1,4-dihyShow More⌵

Mol. Formula:
C26H21ClN6O4

M.W.:
516.95

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
130.74

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5080851

Name:
2-(1,3-benzoxazol-2-ylamino)-N,4-bis(2-bromophenyl)-6-methyl-1,4-dihydropyrShow More⌵

Mol. Formula:
C25H19Br2N5O2

M.W.:
581.27

Type:
Unknown

AlogP:
6.38

Polar Surface Area:
91.55

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5076940

Name:
N-(4-(1H-tetrazol-5-yl)phenyl)-2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenShow More⌵

Mol. Formula:
C27H21ClN8O2

M.W.:
524.97

Type:
Unknown

AlogP:
5.29

Polar Surface Area:
133.12

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5076512

Name:
5-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyriShow More⌵

Mol. Formula:
C25H19ClN6O4

M.W.:
502.92

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
141.74

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5076126

Name:
2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)-N-(4-(hydroxymethyl)phenyl)Show More⌵

Mol. Formula:
C26H22ClN5O3

M.W.:
487.95

6 activity values

Type:
Unknown

AlogP:
5.00

Polar Surface Area:
111.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4589892

Name:
6-ethylsulfanyl-4-oxo-2-[styryl]-2,3-dihydro-1,3-thiazine-5-carbonitrile

Mol. Formula:
C15H14N2OS2

M.W.:
302.42

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
52.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4586760

Name:
3-[1-(5-bromo-2-thienyl)ethylideneamino]-N-(3-ethoxyphenyl)-2-imino-4-oxo-1Show More⌵

Mol. Formula:
C19H19BrN4O3S2

M.W.:
495.42

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
94.85

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4580651

Name:
N-(2-hydroxy-1,3-dioxo-indan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-cShow More⌵

Mol. Formula:
C20H12F3N3O4

M.W.:
415.33

Type:
Unknown

AlogP:
2.39

Polar Surface Area:
101.29

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4577543

Name:
5-(4,4,6-trimethyl-2-oxo-6-phenyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quShow More⌵

Mol. Formula:
C23H20N2O3S

M.W.:
404.49

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
66.48

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4577356

Name:
5-(9-anthrylmethylene)-1-phenyl-hexahydropyrimidine-2,4,6-trione

Mol. Formula:
C25H16N2O3

M.W.:
392.41