Compounds

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
99.93

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4872504

Name:
8-(1-(3-aminopropyl)piperidin-4-ylamino)-5-cyclohexyl-3-methyl-1,7-naphthyrShow More⌵

Mol. Formula:
C23H35N5O

M.W.:
397.57

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
87.04

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

CeMMEC13

Name:
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-methyl-2-oxo-1,2-dihydroquinolineShow More⌵

Mol. Formula:
C19H16N2O4

M.W.:
336.35

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4868866

Name:
8-(1-(2-hydroxyethyl)piperidin-4-ylamino)-3-methyl-5-(5-methylpyridin-3-yl)Show More⌵

Mol. Formula:
C22H27N5O2

M.W.:
393.49

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
94.14

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4868318

Name:
N1,N91-bis((S)-3-amino-1-(3-(3-methyl-6-(4-methyl-3-(methylsulfonamido)phenShow More⌵

Mol. Formula:
C102H172N18O39S2

M.W.:
2338.72

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4865495

Name:
8-(1-(2-aminoethyl)piperidin-4-ylamino)-3-methyl-5-(5-methylpyridin-3-yl)-1Show More⌵

Mol. Formula:
C22H28N6O

M.W.:
392.51

Type:
Unknown

AlogP:
2.44

Polar Surface Area:
99.93

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4864027

Name:
8-(1-(3-amino-2,2-difluoropropanoyl)piperidin-4-ylamino)-5-(3,6-dihydro-2H-Show More⌵

Mol. Formula:
C22H27F2N5O3

M.W.:
447.49

22 activity values

10 unique targets

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
113.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4862754

Name:
3-(4-(5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-2-oxo-1,2-dihydro-1,7-naphthyrShow More⌵

Mol. Formula:
C22H29N5O3

M.W.:
411.51

7 activity values

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
113.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4860188

Name:
8-(1-(3-aminopropyl)piperidin-4-ylamino)-5-(5-(hydroxymethyl)pyridin-3-yl)-Show More⌵

Mol. Formula:
C23H30N6O2

M.W.:
422.53

Type:
Unknown

AlogP:
2.01

Polar Surface Area:
120.16

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4857270

Name:
8-(1-(3-aminopropyl)piperidin-4-ylamino)-3-methyl-5-m-tolyl-1,7-naphthyridiShow More⌵

Mol. Formula:
C24H31N5O

M.W.:
405.55

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
87.04

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4856376

Name:
8-(1-(3-aminopropyl)piperidin-4-ylamino)-3-methyl-5-(tetrahydro-2H-pyran-4-Show More⌵

Mol. Formula:
C22H33N5O2

M.W.:
399.54

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
96.27

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4855456

Name:
3-methyl-8-(1-methylpiperidin-4-ylamino)-5-(5-methylpyridin-3-yl)-1,7-naphtShow More⌵

Mol. Formula:
C21H25N5O

M.W.:
363.47

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
73.91

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4850335

Name:
8-(1-(3-aminopropyl)piperidin-4-ylamino)-5-(3,6-dihydro-2H-pyran-4-yl)-3-meShow More⌵

Mol. Formula:
C22H31N5O2

M.W.:
397.52

11 activity values

Type:
Unknown

AlogP:
2.26

Polar Surface Area:
96.27

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4586175

Name:
6-(But-3-en-1-yl)-4-(3-(difluoromethoxy)-5-(morpholine-4-carbonyl)phenyl)-1Show More⌵

Mol. Formula:
C23H23F2N3O4

M.W.:
443.45

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
76.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4566599

Name:
6-(But-3-en-1-yl)-4-(6-methoxy-5-(morpholine-4-carbonyl)-pyridin-3-yl)-1,6-Show More⌵

Mol. Formula:
C22H24N4O4

M.W.:
408.46

Type:
Unknown

AlogP:
2.45

Polar Surface Area:
89.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4534244

Name:
6-But-3-enyl-4-[6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1H-pyrrolo[Show More⌵

Mol. Formula:
C23H23N5O3

M.W.:
417.47

7 activity values

5 unique targets

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
96.01

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4520419

Name:
6-(But-3-en-1-yl)-4-(4-fluoro-3-(morpholine-4-carbonyl)-phenyl)-1,6-dihydroShow More⌵

Mol. Formula:
C22H22FN3O3

M.W.:
395.43

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
67.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4513694

Name:
6-(But-3-en-1-yl)-4-(1-methyl-7-(morpholine-4-carbonyl)-1H-benzo[d]imidazolShow More⌵

Mol. Formula:
C24H25N5O3

M.W.:
431.50

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
85.15

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4483679

Name:
6-(But-3-en-1-yl)-4-(3-fluoro-5-(morpholine-4-carbonyl)-phenyl)-1,6-dihydroShow More⌵

Mol. Formula:
C22H22FN3O3

M.W.:
395.43