Compounds

ALA4744261

Name:
3-(3-chlorophenyl)-2-cyclopentyl-10-methylpyrimido
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Mol. Formula:
C23H20ClN3O2

M.W.:
405.89

12 activity values

2 unique targets

Type:
Unknown

AlogP:
4.55

Polar Surface Area:
56.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4740678

Name:
2-cyclohexyl-3-(4-methoxyphenyl)-10-methylpyrimido
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Mol. Formula:
C25H25N3O3

M.W.:
415.49

12 activity values

2 unique targets

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
66.12

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4740497

Name:
2-(cyclohexylmethyl)-10-methyl-3-p-tolylpyrimido[4
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Mol. Formula:
C26H27N3O2

M.W.:
413.52

12 activity values

2 unique targets

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
56.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4764398

Name:
3-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-10-methy
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Mol. Formula:
C25H24ClN3O3

M.W.:
449.94

12 activity values

2 unique targets

Type:
Unknown

AlogP:
4.95

Polar Surface Area:
66.12

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4762375

Name:
2-cyclohexyl-10-methyl-3-p-tolylpyrimido[4,5-b]qui
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Mol. Formula:
C25H25N3O2

M.W.:
399.49

12 activity values

2 unique targets

Type:
Unknown

AlogP:
4.59

Polar Surface Area:
56.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4760355

Name:
2-isobutyl-10-methyl-3-phenylpyrimido[4,5-b]quinol
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Mol. Formula:
C22H21N3O2

M.W.:
359.43

12 activity values

2 unique targets

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
56.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4759814

Name:
3-(3-chloro-4-methoxyphenyl)-2-(cyclohexylmethyl)-
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Mol. Formula:
C26H26ClN3O3

M.W.:
463.97

12 activity values

2 unique targets

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
66.12

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4759339

Name:
2-cyclopentyl-10-methyl-3-p-tolylpyrimido[4,5-b]qu
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Mol. Formula:
C24H23N3O2

M.W.:
385.47

12 activity values

2 unique targets

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
56.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4756486

Name:
3-(3-chlorophenyl)-2-cyclohexyl-10-methylpyrimido[
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Mol. Formula:
C24H22ClN3O2

M.W.:
419.91

12 activity values

2 unique targets

Type:
Unknown

AlogP:
4.94

Polar Surface Area:
56.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4756163

Name:
2-isobutyl-3-(4-methoxyphenyl)-10-methylpyrimido[4
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Mol. Formula:
C23H23N3O3

M.W.:
389.46

12 activity values

2 unique targets

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
66.12

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4755709

Name:
3-(3-chloro-4-methoxyphenyl)-2-cyclopentyl-10-meth
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Mol. Formula:
C24H22ClN3O3

M.W.:
435.91

12 activity values

2 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
66.12

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4779641

Name:
3-(4-chlorophenyl)-2-isobutyl-10-methylpyrimido[4,
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Mol. Formula:
C22H20ClN3O2

M.W.:
393.87

12 activity values

2 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
56.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4784295

Name:
2-cyclopentyl-10-methyl-3-phenylpyrimido[4,5-b]qui
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Mol. Formula:
C23H21N3O2

M.W.:
371.44

12 activity values

2 unique targets

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
56.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4784143

Name:
3-(3-chlorophenyl)-2-isobutyl-10-methylpyrimido[4,
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Mol. Formula:
C22H20ClN3O2

M.W.:
393.87

12 activity values

2 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
56.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4796389

Name:
2-cyclopropyl-10-methyl-3-phenylpyrimido[4,5-b]qui
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Mol. Formula:
C21H17N3O2

M.W.:
343.39

12 activity values

2 unique targets

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
56.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4790909

Name:
2-isobutyl-10-methyl-3-p-tolylpyrimido[4,5-b]quino
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Mol. Formula:
C23H23N3O2

M.W.:
373.46

12 activity values

2 unique targets

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
56.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4790277

Name:
3-(3-chloro-4-methoxyphenyl)-2-isobutyl-10-methylp
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Mol. Formula:
C23H22ClN3O3

M.W.:
423.90

12 activity values

2 unique targets

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
66.12

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4789255

Name:
3-(4-chlorophenyl)-2-cyclohexyl-10-methylpyrimido[
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Mol. Formula:
C24H22ClN3O2

M.W.:
419.91

12 activity values

2 unique targets

Type:
Unknown

AlogP:
4.94

Polar Surface Area:
56.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4787728

Name:
3-(4-chlorophenyl)-2-(cyclohexylmethyl)-10-methylp
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Mol. Formula:
C25H24ClN3O2

M.W.:
433.94

12 activity values

2 unique targets

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
56.89

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4874877

Name:
Akuammiline

Mol. Formula:
C23H26N2O4

M.W.:
394.47

23 activity values

9 unique targets

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
68.20

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS