Compounds

8 unique targets

Type:
---

AlogP:
3.59

Polar Surface Area:
83.05

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5206305

Name:
4-(Cyclopentylmethoxy)benzamide

Mol. Formula:
C13H17NO2

M.W.:
219.28

Type:
---

AlogP:
2.35

Polar Surface Area:
52.32

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5200815

Name:
(S)-N-(3-(3-(2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl
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Mol. Formula:
C22H25N5O6

M.W.:
455.47

1 activity values

1 unique targets

Type:
---

AlogP:
-0.89

Polar Surface Area:
159.23

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5200521

Name:
6-(2-Thienylmethoxy)-2,3-dihydrophthalazine-1,4-di
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Mol. Formula:
C13H10N2O3S

M.W.:
274.30

Type:
---

AlogP:
1.86

Polar Surface Area:
74.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5200358

Name:
6-[(2-Fluorobenzyl)oxy]-2,3-dihydrophthalazine-1,4
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Mol. Formula:
C15H11FN2O3

M.W.:
286.26

Type:
---

AlogP:
1.93

Polar Surface Area:
74.95

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5198984

Name:
4-(Cyclohexylmethoxy)-2-fluorobenzamide

Mol. Formula:
C14H18FNO2

M.W.:
251.30

Type:
---

AlogP:
2.88

Polar Surface Area:
52.32

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5198692

Name:
4-(Cyclopropylmethoxy)benzamide

Mol. Formula:
C11H13NO2

M.W.:
191.23

Type:
---

AlogP:
1.57

Polar Surface Area:
52.32

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5198615

Name:
4-[(3-Bromobenzyl)oxy]-2-methoxybenzamide

Mol. Formula:
C15H14BrNO3

M.W.:
336.18

Type:
---

AlogP:
3.14

Polar Surface Area:
61.55

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5194963

Name:
4-[(2-Fluorobenzyl)oxy]-2-methoxybenzamide

Mol. Formula:
C15H14FNO3

M.W.:
275.28

Type:
---

AlogP:
2.51

Polar Surface Area:
61.55

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5192839

Name:
6-(Cyclopentylmethoxy)-2,3-dihydrophthalazine-1,4-
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Mol. Formula:
C14H16N2O3

M.W.:
260.29

Type:
---

AlogP:
1.79

Polar Surface Area:
74.95

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5187187

Name:
6-(Cyclobutylmethoxy)-2,3-dihydrophthalazine-1,4-d
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Mol. Formula:
C13H14N2O3

M.W.:
246.27

Type:
---

AlogP:
1.40

Polar Surface Area:
74.95

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5186967

Name:
4-(Cyclobutylmethoxy)benzamide

Mol. Formula:
C12H15NO2

M.W.:
205.26

Type:
---

AlogP:
1.96

Polar Surface Area:
52.32

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5186481

Name:
4-[(3-Bromobenzyl)oxy]-2-fluorobenzamide

Mol. Formula:
C14H11BrFNO2

M.W.:
324.15

Type:
---

AlogP:
3.27

Polar Surface Area:
52.32

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5186007

Name:
7,8-dimethyl-2-((pyrimidin-2-ylthio)methyl)quinazo
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Mol. Formula:
C15H14N4OS

M.W.:
298.37

8 unique targets

Type:
---

AlogP:
2.62

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5185276

Name:
4-(Cyclohexylmethoxy)-2-methoxybenzamide

Mol. Formula:
C15H21NO3

M.W.:
263.34

6 activity values

Type:
---

AlogP:
2.75

Polar Surface Area:
61.55

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5185078

Name:
4-(1,3-Thiazol-5-ylmethoxy)benzamide

Mol. Formula:
C11H10N2O2S

M.W.:
234.28

6 activity values

Type:
---

AlogP:
1.82

Polar Surface Area:
65.21

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5184823

Name:
4-(4-cyanophenoxy)benzamide

Cas Number:
1042780-52-8

Mol. Formula:
C14H10N2O2

M.W.:
238.25

8 unique targets

Type:
---

AlogP:
2.45

Polar Surface Area:
76.11

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5183715

Name:
4-(Cyclobutylmethoxy)-2-fluorobenzamide

Mol. Formula:
C12H14FNO2

M.W.:
223.25

Type:
---

AlogP:
2.10

Polar Surface Area:
52.32

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5181947

Name:
6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-d
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Mol. Formula:
C15H18N2O3

M.W.:
274.32