Compounds

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2271293

Name:
N-(4-chlorobenzyl)-N-(4-methyl-6-(perfluoroethyl)-1,3,5-triazin-2-yl)formamShow More⌵

Mol. Formula:
C14H10ClF5N4O

M.W.:
380.70

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
58.98

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2271292

Name:
N-(4-chlorobenzyl)-N-(4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl)formaShow More⌵

Mol. Formula:
C13H10ClF3N4O

M.W.:
330.70

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
58.98

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2271291

Name:
N-(4-chlorobenzyl)-N-(4-(difluoromethyl)-6-methyl-1,3,5-triazin-2-yl)formamShow More⌵

Mol. Formula:
C13H11ClF2N4O

M.W.:
312.71

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
58.98

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2271286

Name:
N-(4-chlorobenzyl)-4-methyl-6-propyl-1,3,5-triazin-2-amine

Mol. Formula:
C14H17ClN4

M.W.:
276.77

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA2271285

Name:
N-(4-chlorobenzyl)-4-methyl-6-(perfluoroethyl)-1,3,5-triazin-2-amine

Mol. Formula:
C13H10ClF5N4

M.W.:
352.69

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2271284

Name:
N-(4-chlorobenzyl)-N-(4-methyl-6-propyl-1,3,5-triazin-2-yl)formamide

Mol. Formula:
C15H17ClN4O

M.W.:
304.78

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
58.98

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2270225

Name:
N-(4-chlorobenzyl)-4,6-dimethyl-1,3,5-triazin-2-amine

Mol. Formula:
C12H13ClN4

M.W.:
248.72

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA2270224

Name:
N-(4-bromobenzyl)-4,6-dimethyl-1,3,5-triazin-2-amine

Mol. Formula:
C12H13BrN4

M.W.:
293.17

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.95

DETAILS

ALA2269436

Name:
N-benzyl-4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine

Mol. Formula:
C12H11Cl3N4

M.W.:
317.61

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2269435

Name:
N-benzyl-4-isopropyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Mol. Formula:
C14H15F3N4

M.W.:
296.30

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA2269434

Name:
N-benzyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Mol. Formula:
C13H13F3N4

M.W.:
282.27

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA2269433

Name:
N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Mol. Formula:
C12H11F3N4

M.W.:
268.24

44 activity values

13 unique targets

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA2269432

Name:
N-benzyl-4-methyl-6-phenyl-1,3,5-triazin-2-amine

Mol. Formula:
C17H16N4

M.W.:
276.34

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2269431

Name:
N-benzyl-4-methyl-6-propyl-1,3,5-triazin-2-amine

Mol. Formula:
C14H18N4

M.W.:
242.33

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2269430

Name:
N-benzyl-4-ethyl-6-methyl-1,3,5-triazin-2-amine

Mol. Formula:
C13H16N4

M.W.:
228.30

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2269429

Name:
N-benzyl-4,6-dimethyl-1,3,5-triazin-2-amine

Mol. Formula:
C12H14N4

M.W.:
214.27

25 activity values

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2269428

Name:
N-benzyl-4-methyl-1,3,5-triazin-2-amine

Mol. Formula:
C11H12N4

M.W.:
200.25

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2269427

Name:
N-benzyl-1,3,5-triazin-2-amine

Mol. Formula:
C10H10N4

M.W.:
186.22

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2269225

Name:
4-methyl-6-(trifluoromethyl)-N-(4-(trifluoromethyl)benzyl)-1,3,5-triazin-2-Show More⌵

Mol. Formula:
C13H10F6N4

M.W.:
336.24