Compounds

ALA5265922

Name:
N2-(3-((3-((7-((3-((4,6-diamino-1,3,5-triazin-2-yl)amino)propyl)amino)heptyShow More⌵

Mol. Formula:
C22H45N15

M.W.:
519.71

Type:
---

AlogP:
-0.20

Polar Surface Area:
241.57

HBA:
15

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5282128

Name:
1,5-bis(3-bromophenyl)pentan-3-one

Mol. Formula:
C17H16Br2O

M.W.:
396.12

Type:
---

AlogP:
5.35

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5281581

Name:
6-benzyl-9-(3-(trifluoromethyl)benzyl)-9H-purine-2-carbonitrile

Mol. Formula:
C21H14F3N5

M.W.:
393.37

Type:
---

AlogP:
4.36

Polar Surface Area:
67.39

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5281356

Name:
2-(((1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)amino)ethan-1-ol

Mol. Formula:
C11H13ClN4O

M.W.:
252.71

Type:
---

AlogP:
1.00

Polar Surface Area:
62.97

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5280945

Name:
9-butyl-6-(3-methylbenzyl)-9H-purine-2-carbonitrile

Mol. Formula:
C18H19N5

M.W.:
305.39

Type:
---

AlogP:
3.40

Polar Surface Area:
67.39

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5280796

Name:
1,7-bis(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dione

Mol. Formula:
C25H28O8

M.W.:
456.49

Type:
---

AlogP:
3.99

Polar Surface Area:
89.52

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5279653

Name:
1,5-bis(2-chlorophenyl)pentan-3-one

Mol. Formula:
C17H16Cl2O

M.W.:
307.22

Type:
---

AlogP:
5.13

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5278559

Name:
1-(3,4-dichlorophenyl)-5-phenylpenta-1,4-dien-3-one

Mol. Formula:
C17H12Cl2O

M.W.:
303.19

Type:
---

AlogP:
5.29

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5277693

Name:
1,5-bis(2-chlorophenyl)pentan-3-ol

Mol. Formula:
C17H18Cl2O

M.W.:
309.24

Type:
---

AlogP:
4.92

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5276406

Name:
1-(3-nitrophenyl)-5-phenylpenta-1,4-dien-3-one

Mol. Formula:
C17H13NO3

M.W.:
279.30

Type:
---

AlogP:
3.89

Polar Surface Area:
60.21

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5276156

Name:
1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one

Mol. Formula:
C17H13ClO

M.W.:
268.74

Type:
---

AlogP:
4.64

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5273972

Name:
1,5-bis(3,4,5-trimethoxyphenyl)pentan-3-ol

Mol. Formula:
C23H32O7

M.W.:
420.50

Type:
---

AlogP:
3.66

Polar Surface Area:
75.61

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5273389

Name:
N-(3-{6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluorophenyl)-2,Show More⌵

Mol. Formula:
C21H21FN6O2

M.W.:
408.44

Type:
---

AlogP:
4.09

Polar Surface Area:
98.21

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5273383

Name:
1-(4-bromo-2-chlorophenyl)-N-(2-hydroxyethyl)-1H-1,2,3-triazole-4-carboxamiShow More⌵

Mol. Formula:
C11H10BrClN4O2

M.W.:
345.58

Type:
---

AlogP:
1.41

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5291184

Name:
6-(3,4-dichlorobenzyl)-9-(5-hydroxypentyl)-9H-purine-2-carbonitrile

Mol. Formula:
C18H17Cl2N5O

M.W.:
390.27

Type:
---

AlogP:
3.76

Polar Surface Area:
87.62

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5291133

Name:
6-(4-chlorobenzyl)-9-(3-(trifluoromethyl)benzyl)-9H-purine-2-carbonitrile

Mol. Formula:
C21H13ClF3N5

M.W.:
427.82

Type:
---

AlogP:
5.01

Polar Surface Area:
67.39

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5290673

Name:
1,5-bis(3-bromophenyl)pentan-3-ol

Mol. Formula:
C17H18Br2O

M.W.:
398.14

Type:
---

AlogP:
5.14

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5290291

Name:
9-benzyl-6-cyclohexyl-9H-purine-2-carbonitrile

Mol. Formula:
C19H19N5

M.W.:
317.40

Type:
---

AlogP:
3.79

Polar Surface Area:
67.39

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5289926

Name:
2-(((1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)amino)ethan-1-ol

Mol. Formula:
C11H12Cl2N4O

M.W.:
287.15

Type:
---

AlogP:
1.66

Polar Surface Area:
62.97

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5289671

Name:
6-(3,4-dichlorobenzyl)-9-(3-methoxypropyl)-9H-purine-2-carbonitrile

Mol. Formula:
C17H15Cl2N5O

M.W.:
376.25

Type:
---

AlogP:
3.63

Polar Surface Area:
76.62

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS