Compounds

Type:
Small molecule

AlogP:
0.71

Polar Surface Area:
103.60

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2282813

Name:
5-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)pent-4-ynoic aShow More⌵

Mol. Formula:
C18H20N4O4

M.W.:
356.38

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
133.58

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2282812

Name:
N-(5-aminopentane-2yl)-2,6-dimethoxy-4-methyl-5-(2-(trifluoromethyl)cycloheShow More⌵

Mol. Formula:
C24H34F3N3O3

M.W.:
469.55

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
78.63

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2282811

Name:
5-(3-(benzyl(methyl)amino)-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine

Mol. Formula:
C20H22ClN5

M.W.:
367.88

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
81.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2282810

Name:
4-(4-(4-(1H-benzo[d]imidazol-2-yl)phenyl)piperazin-1-yl)benzimidamide

Mol. Formula:
C24H24N6

M.W.:
396.50

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
85.03

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA455012

Name:
2,4-Diamino-6-[N-(beta-naphthyl)-N-cyclopropyl methylamino]-quinazoline

Mol. Formula:
C23H25N5

M.W.:
371.49

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
81.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA523004

Name:
2,4-Diamino-6-[N-(2,5-dimethoxybenzyl)-N-cyclopropyl methylamino]quinazolinShow More⌵

Mol. Formula:
C21H27N5O2

M.W.:
381.48

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
99.52

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA492896

Name:
2,4-Diamino-6-[N-(beta-naphthyl)-N-propylamino]quinazoline

Mol. Formula:
C22H23N5

M.W.:
357.46

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
81.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA492895

Name:
2,4-Diamino-6-[N-(2,5-dimethoxybenzyl)-N-propylamino]quinazoline

Mol. Formula:
C20H25N5O2

M.W.:
367.45

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
99.52

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA522543

Name:
2,4-Diamino-6-[N-(2,3,5-trichlorobenzyl)-N-ethylamino]quinazoline

Mol. Formula:
C17H16Cl3N5

M.W.:
396.71

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
81.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA521672

Name:
2,4-Diamino-6-[N-(2,5-dimethoxybenzyl)-N-ethylamino]quinazoline

Mol. Formula:
C19H23N5O2

M.W.:
353.43

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
99.52

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA522678

Name:
2,4-Diamino-6-[N-(beta-naphthyl)-N-ethylamino]quinazoline

Mol. Formula:
C21H21N5

M.W.:
343.43

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
81.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA493718

Name:
2,4-Diamino-6-[N-(alpha-naphthyl)-N-ethylamino]quinazoline

Mol. Formula:
C21H21N5

M.W.:
343.43

8 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
81.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA493717

Name:
2,4-Diamino-6-[N-(benzyl)-N-ethylamino]quinazoline

Mol. Formula:
C17H19N5

M.W.:
293.37

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
81.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA442702

Name:
6-(3,4-dichlorophenylthio)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Mol. Formula:
C13H11Cl2N5S

M.W.:
340.24

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
93.61

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA227065

Name:
5-methyl-6-(naphthalen-2-ylthio)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Mol. Formula:
C17H15N5S

M.W.:
321.41

13 activity values

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
93.61

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA370239

Name:
5-[2-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-ylmethyl)-4-methoxy-pheShow More⌵

Mol. Formula:
C21H21N5O3

M.W.:
391.43

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
137.24

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA425893

Name:
6-[3-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-ylmethyl)-4-methoxy-pheShow More⌵

Mol. Formula:
C22H23N5O3

M.W.:
405.46

8 activity values

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
137.24

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA435938

Name:
6-[3-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-ylmethyl)-4-methoxy-pheShow More⌵

Mol. Formula:
C24H31N5O4

M.W.:
453.54