Compounds

ALA5272693

Name:
(4-(2-((benzo[d][1,3]dioxol-4-ylmethyl)amino)benzoyl)piperazin-1-yl)(2-phenShow More⌵

Mol. Formula:
C41H38N6O7

M.W.:
726.79

Type:
---

AlogP:
6.03

Polar Surface Area:
128.99

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5272561

Name:
5-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)-N-(pyrimidin-5-yl)-1H-indole-2-caShow More⌵

Mol. Formula:
C22H16N8O

M.W.:
408.43

Type:
---

AlogP:
3.81

Polar Surface Area:
121.37

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5272497

Name:
2-((2-(tert-butylamino)-2-oxo-1-phenylethyl)carbamoyl)allyl p-tolylcarbamatShow More⌵

Mol. Formula:
C24H29N3O4

M.W.:
423.51

Type:
---

AlogP:
3.87

Polar Surface Area:
96.53

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5272496

Name:
3-([1,1'-biphenyl]-4-yl)-7-hydroxy-6-methoxy-2H-chromen-2-one

Mol. Formula:
C16H12O4

M.W.:
268.27

Type:
---

AlogP:
3.17

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5272370

Name:
7-hydroxy-6-methoxy-3-(o-tolyl)-2H-chromen-2-one

Mol. Formula:
C17H14O4

M.W.:
282.30

Type:
---

AlogP:
3.48

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5272367

Name:
N-(4-(methylthio)phenyl)-7-(thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2Show More⌵

Mol. Formula:
C15H12N6S2

M.W.:
340.44

Type:
---

AlogP:
3.71

Polar Surface Area:
68.00

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5272226

Name:
N-(2-aminophenyl)-5-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)-1H-indole-2-carShow More⌵

Mol. Formula:
C24H19N7O

M.W.:
421.46

Type:
---

AlogP:
4.60

Polar Surface Area:
121.61

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5272213

Name:
3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-aShow More⌵

Mol. Formula:
C19H18N4O4

M.W.:
366.38

Type:
---

AlogP:
3.76

Polar Surface Area:
83.05

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5272202

Name:
2-methoxy-5-(6-((3,4,5-trimethoxyphenyl)amino)-[1,2,4]triazolo[4,3-a]pyridiShow More⌵

Mol. Formula:
C22H22N4O5

M.W.:
422.44

Type:
---

AlogP:
3.88

Polar Surface Area:
99.37

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5272164

Name:
N-(3-(1,3,2-dithiarsolan-2-yl)phenyl)-2-aminoacetamide

Mol. Formula:
C10H13AsN2OS2

M.W.:
316.28

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5272078

Name:
((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamShow More⌵

Mol. Formula:
C35H56O3

M.W.:
524.83

Type:
---

AlogP:
8.51

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5272046

Name:
(4-(2-((benzo[d][1,3]dioxol-4-ylmethyl)amino)benzoyl)piperazin-1-yl)(7-(4-mShow More⌵

Mol. Formula:
C39H34N6O5

M.W.:
666.74

Type:
---

AlogP:
6.01

Polar Surface Area:
110.53

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5272044

Name:
2-(4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl)-N-(2-(((3R,5aS,6R,8aS,Show More⌵

Mol. Formula:
C37H49ClN4O6

M.W.:
681.27

Type:
---

AlogP:
5.99

Polar Surface Area:
86.78

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5271808

Name:
2,6-bis(3-((2-hydroxybenzylidene)amino)benzylidene)cyclohexan-1-one

Mol. Formula:
C34H28N2O3

M.W.:
512.61

Type:
---

AlogP:
7.82

Polar Surface Area:
82.25

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5271775

Name:
3-(2-fluorophenyl)-7-hydroxy-6-methoxy-2H-chromen-2-one

Mol. Formula:
C16H11FO4

M.W.:
286.26

Type:
---

AlogP:
3.31

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5271737

Name:
Ethyl (2-(((p-tolylcarbamoyl)oxy)methyl)acryloyl)leucylglycinate

Mol. Formula:
C22H31N3O6

M.W.:
433.51

Type:
---

AlogP:
2.31

Polar Surface Area:
122.83

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5271716

Name:
((2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuShow More⌵

Mol. Formula:
C27H26N2O9

M.W.:
522.51

Type:
---

AlogP:
2.17

Polar Surface Area:
135.15

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5271489

Name:
N-((1-methyl-1H-indol-3-yl)methyl)-2-(1H-1,2,4-triazol-1-yl)-N-(3,4,5-trimeShow More⌵

Mol. Formula:
C23H25N5O4

M.W.:
435.48

Type:
---

AlogP:
3.03

Polar Surface Area:
83.64

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5271302

Name:
N-(4-(methylsulfonyl)phenyl)-7-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidShow More⌵

Mol. Formula:
C17H14N6O2S

M.W.:
366.41

Type:
---

AlogP:
2.33

Polar Surface Area:
102.14

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5271267

Name:
2-[5-(2-chloro-6-methoxyquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyShow More⌵

Mol. Formula:
C26H24ClN5O2S

M.W.:
506.03

Type:
---

AlogP:
5.69

Polar Surface Area:
79.71

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS