Compounds

ALA5269002

Name:
6-Ethyl-2,5-dimethyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrShow More⌵

Mol. Formula:
C13H14N2O

M.W.:
214.27

Type:
---

AlogP:
2.20

Polar Surface Area:
52.89

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA5281818

Name:
4-((2-(allyloxy)-3-methoxybenzyl)amino)-4H-1,2,4-triazol-3-ol

Mol. Formula:
C13H16N4O3

M.W.:
276.30

Type:
---

AlogP:
1.30

Polar Surface Area:
81.43

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5281316

Name:
isopropyl-2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)eShow More⌵

Mol. Formula:
C31H41N5O4

M.W.:
547.70

Type:
---

AlogP:
4.78

Polar Surface Area:
99.79

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5280725

Name:
(2-methyl-4,7-dimethylene-4,7-dihydro-1H-benzo[d]imidazol-5-yl)(p-tolyl)metShow More⌵

Mol. Formula:
C18H19N3

M.W.:
277.37

Type:
---

AlogP:
2.05

Polar Surface Area:
54.70

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA5276550

Name:
2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methShow More⌵

Mol. Formula:
C28H35N5O4

M.W.:
505.62

Type:
---

AlogP:
3.91

Polar Surface Area:
110.79

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5286372

Name:
(R)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)benzamide

Mol. Formula:
C18H22N4O2

M.W.:
326.40

Type:
---

AlogP:
2.18

Polar Surface Area:
78.09

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5284035

Name:
3-(4-(2-butyl-2,3-dihydrobenzofuran-3-carbonyl)-2,6-diiodophenoxy)-N,N,N-trShow More⌵

Mol. Formula:
C25H32I2NO3+

M.W.:
648.34

Type:
---

AlogP:
6.29

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5283892

Name:
(S)-(3-isopropyl-1H-pyrazol-5-yl)(3-(6-methyl-4-(1-methyl-1H-pyrazol-4-yl)pShow More⌵

Mol. Formula:
C21H26N6O

M.W.:
378.48

Type:
---

AlogP:
3.27

Polar Surface Area:
79.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5288979

Name:
4-(4-(2-butyl-2,3-dihydrobenzofuran-3-carbonyl)-2,6-diiodophenoxy)-N,N,N-trShow More⌵

Mol. Formula:
C26H34I2NO3+

M.W.:
662.37

Type:
---

AlogP:
6.68

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5287732

Name:
(R)-(3-isopropyl-1H-pyrazol-5-yl)(3-(6-methyl-4-(1-methyl-1H-pyrazol-4-yl)pShow More⌵

Mol. Formula:
C21H26N6O

M.W.:
378.48

Type:
---

AlogP:
3.27

Polar Surface Area:
79.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5287501

Name:
N-(2-methyl-2-morpholinopropyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide

Mol. Formula:
C24H28N4O2

M.W.:
404.51

Type:
---

AlogP:
3.38

Polar Surface Area:
59.39

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5277527

Name:
2,2'-azanediylbis(2-oxoacetic acid)

Mol. Formula:
C4H3NO6

M.W.:
161.07

Type:
---

AlogP:
-2.20

Polar Surface Area:
120.77

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5175566

Name:
(R)-2-(2-(2-((7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxShow More⌵

Mol. Formula:
C20H22N2O7

M.W.:
402.40

2 activity values

2 unique targets

Type:
---

AlogP:
0.67

Polar Surface Area:
134.94

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4590347

Name:
5-Carboxy-2-hydroxy-acetanilide

Mol. Formula:
C9H9NO4

M.W.:
195.17

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.05

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4586086

Name:
6-ethyl-7-oxo-5-o-tolyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

Mol. Formula:
C16H14N4O

M.W.:
278.31

6 activity values

3 unique targets

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
73.95

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4578848

Name:
N-Ethyl-4-hydroxy-N-methyl-2-oxo-1H-1,7-naphthyridine-3-carboxamide

Mol. Formula:
C12H13N3O3

M.W.:
247.25

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.72

Polar Surface Area:
86.29

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4570905

Name:
2-(4-(3-(hexyl(methyl)amino)propyl)-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yShow More⌵

Mol. Formula:
C20H29N3O4

M.W.:
375.47

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
84.54

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4569410

Name:
9-oxo-4,5,6,7,8,9-hexahydroimidazo[5,1-b]quinazoline-3-carbonitrile

Mol. Formula:
C11H10N4O

M.W.:
214.23

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.77

Polar Surface Area:
73.95

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4569318

Name:
N-Benzyl-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxamide

Mol. Formula:
C16H13N3O3

M.W.:
295.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
95.08

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4557175

Name:
5-methyl-7-oxo-6-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

Mol. Formula:
C11H12N4O

M.W.:
216.24

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.16

Polar Surface Area:
73.95

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS