Compounds

ALA5269084

Name:
6,7,8-trimethoxy-N,N-dipropylquinazolin-4-amine

Mol. Formula:
C17H25N3O3

M.W.:
319.41

Type:
---

AlogP:
3.28

Polar Surface Area:
56.71

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4644938

Name:
6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[3,4-d]pyrShow More⌵

Mol. Formula:
C18H20ClN5O

M.W.:
357.85

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
75.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4580164

Name:
1-Cyclopentyl-6-(((R)-1-((S)-3-fluoropyrrolidin-1-yl)-1-oxopropan-2-yl)aminShow More⌵

Mol. Formula:
C17H23FN6O2

M.W.:
362.41

60 activity values

20 unique targets

Type:
Unknown

AlogP:
1.61

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4564974

Name:
(R)-N-cyclopentyl-2-((1-cyclopentyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrShow More⌵

Mol. Formula:
C18H26N6O2

M.W.:
358.45

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.09

Polar Surface Area:
104.70

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4544864

Name:
(R)-1-cyclopentyl-6-((1-morpholino-1-oxopropan-2-yl)amino)-1,5-dihydro-4H-pShow More⌵

Mol. Formula:
C17H24N6O3

M.W.:
360.42

5 activity values

4 unique targets

Type:
Unknown

AlogP:
0.89

Polar Surface Area:
105.14

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4543521

Name:
(R)-1-cyclopentyl-6-((1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)amino)-1,5-dihydShow More⌵

Mol. Formula:
C17H24N6O2

M.W.:
344.42

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.66

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4537603

Name:
(R)-2-((1-cyclopentyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amShow More⌵

Mol. Formula:
C16H24N6O2

M.W.:
332.41

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4515145

Name:
1-cyclopentyl-6-(((R)-1-((R)-3-(dimethylamino)pyrrolidin-1-yl)-1-oxopropan-Show More⌵

Mol. Formula:
C19H29N7O2

M.W.:
387.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.20

Polar Surface Area:
99.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4468399

Name:
(R)-1-cyclopentyl-6-((1-oxo-1-(thiazolidin-3-yl)propan-2-yl)amino)-1,5-dihyShow More⌵

Mol. Formula:
C16H22N6O2S

M.W.:
362.46

9 activity values

4 unique targets

Type:
Unknown

AlogP:
1.57

Polar Surface Area:
95.91

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4465401

Name:
1-cyclopentyl-6-(((R)-1-((S)-3-(dimethylamino)pyrrolidin-1-yl)-1-oxopropan-Show More⌵

Mol. Formula:
C19H29N7O2

M.W.:
387.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.20

Polar Surface Area:
99.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4457086

Name:
1-cyclopentyl-6-(((2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-Show More⌵

Mol. Formula:
C18H26N6O2

M.W.:
358.45

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4453141

Name:
(R)-2-((1-cyclopentyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amShow More⌵

Mol. Formula:
C15H22N6O2

M.W.:
318.38

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.12

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4450464

Name:
1-cyclopentyl-6-(((R)-1-((R)-3-fluoropyrrolidin-1-yl)-1-oxopropan-2-yl)aminShow More⌵

Mol. Formula:
C17H23FN6O2

M.W.:
362.41

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.61

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4445082

Name:
(R)-1-cyclopentyl-6-((1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl)aminShow More⌵

Mol. Formula:
C17H22F2N6O2

M.W.:
380.40

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.90

Polar Surface Area:
95.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4436823

Name:
(R)-2-((1-cyclopentyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amShow More⌵

Mol. Formula:
C17H24N6O3

M.W.:
360.42

3 activity values

3 unique targets

Type:
Unknown

AlogP:
0.94

Polar Surface Area:
113.93

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4435082

Name:
1-cyclopentyl-6-(((2R)-1-(3-methoxypyrrolidin-1-yl)-1-oxopropan-2-yl)amino)Show More⌵

Mol. Formula:
C18H26N6O3

M.W.:
374.45

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.28

Polar Surface Area:
105.14

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4128897

Name:
(+/-)-6,7,8-Trimethoxy-N-(1-(5-methyl-1H-pyrazol-3-yl)-propan-2-yl)quinazolShow More⌵

Mol. Formula:
C18H23N5O3

M.W.:
357.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
94.18

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4127499

Name:
(+/-)-6,7-Dimethoxy-N-(1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl)quinazolin-4Show More⌵

Mol. Formula:
C17H21N5O2

M.W.:
327.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
84.95

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4126270

Name:
(S)-4-(6-chloro-2,3-dihydro-1H-inden-1-yl)-7,8-dimethoxyquinazoline

Mol. Formula:
C19H17ClN2O2

M.W.:
340.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
44.24

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4102858

Name:
6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)methyl)-8,9,10,11-tetrahydShow More⌵

Mol. Formula:
C24H27N5O3S

M.W.:
465.58

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
73.89

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS