Compounds

ALA5273529

Name:
ethyl 5-(2,2-dimethylchroman-6-yl)-4-methylpenta-2,4-dienoate

Mol. Formula:
C19H24O3

M.W.:
300.40

Type:
---

AlogP:
4.31

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5290724

Name:
1-(3,4-dihydroxy-5-methoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

Mol. Formula:
C18H18O6

M.W.:
330.34

Type:
---

AlogP:
3.02

Polar Surface Area:
85.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5284703

Name:
N-(3-((5-((3-bromophenyl)amino)-1,3,4-oxadiazol-2-yl)methoxy)-4-hydroxybenzShow More⌵

Mol. Formula:
C26H31BrN4O4

M.W.:
543.46

Type:
---

AlogP:
6.25

Polar Surface Area:
109.51

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5270746

Name:
4-methyl-5-(2-methylchroman-6-yl)-1-(pyrrolidin-1-yl)penta-2,4-dien-1-one

Mol. Formula:
C20H25NO2

M.W.:
311.43

Type:
---

AlogP:
3.98

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5199021

Name:
6-chloro-1-methyl-2,4-diphenyl-1,2-dihydroquinazoline

Mol. Formula:
C21H17ClN2

M.W.:
332.83

18 activity values

3 unique targets

Type:
---

AlogP:
5.33

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5206406

Name:
6-chloro-1-methyl-2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline

Mol. Formula:
C21H16ClN3O2

M.W.:
377.83

17 activity values

3 unique targets

Type:
---

AlogP:
5.23

Polar Surface Area:
58.74

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5195700

Name:
2,4-diphenyl-1,2-dihydroquinazoline

Mol. Formula:
C20H16N2

M.W.:
284.36

18 activity values

3 unique targets

Type:
---

AlogP:
4.65

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5189886

Name:
2-(4-bromophenyl)-6-chloro-1-methyl-4-phenyl-1,2-dihydroquinazoline

Mol. Formula:
C21H16BrClN2

M.W.:
411.73

28 activity values

3 unique targets

Type:
---

AlogP:
6.09

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5184912

Name:
6-chloro-4-(2-fluorophenyl)-2-(furan-2-yl)-1,2-dihydroquinazoline

Mol. Formula:
C18H12ClFN2O

M.W.:
326.76

28 activity values

3 unique targets

Type:
---

AlogP:
5.03

Polar Surface Area:
37.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5183287

Name:
2-(4-(allyloxy)phenyl)-6-chloro-1-methyl-4-phenyl-1,2-dihydroquinazoline

Mol. Formula:
C24H21ClN2O

M.W.:
388.90

28 activity values

3 unique targets

Type:
---

AlogP:
5.89

Polar Surface Area:
24.83

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5180154

Name:
2,4-bis(4-bromophenyl)-1,2-dihydroquinazoline

Mol. Formula:
C20H14Br2N2

M.W.:
442.15

27 activity values

3 unique targets

Type:
---

AlogP:
6.17

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4764996

Name:
(Z)-5-(4-fluorobenzylidene)-2-thioxoimidazolidin-4-one

Mol. Formula:
C10H7FN2OS

M.W.:
222.24

9 activity values

3 unique targets

Type:
Unknown

AlogP:
1.17

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.55

DETAILS

ALA4576828

Name:
4-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzamide

Mol. Formula:
C9H5ClN2OS3

M.W.:
288.81

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
41.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4572180

Name:
methyl ((E)-3-(1-chloro-3,4-dihydronaphthalen-2-yl)acryloyl)-L-alloisoleuciShow More⌵

Mol. Formula:
C20H24ClNO3

M.W.:
361.87

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4563966

Name:
methyl (E)-(3-(1-chloro-3,4-dihydronaphthalen-2-yl)acryloyl)-L-prolinate

Mol. Formula:
C19H20ClNO3

M.W.:
345.83

8 activity values

2 unique targets

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4560759

Name:
methyl (E)-(3-(1-chloro-3,4-dihydronaphthalen-2-yl)acryloyl)-D-prolinate

Mol. Formula:
C19H20ClNO3

M.W.:
345.83

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4541212

Name:
Methyl 2-(1-(((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)methyShow More⌵

Mol. Formula:
C22H27NO5

M.W.:
385.46

9 activity values

2 unique targets

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
73.86

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4539308

Name:
methyl (E)-(3-(1-chloro-3,4-dihydronaphthalen-2-yl)acryloyl)-L-tryptophanatShow More⌵

Mol. Formula:
C25H23ClN2O3

M.W.:
434.92

10 activity values

3 unique targets

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
71.19

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4531323

Name:
methyl (E)-(3-(1-chloro-3,4-dihydronaphthalen-2-yl)acryloyl)-L-phenylalaninShow More⌵

Mol. Formula:
C23H22ClNO3

M.W.:
395.89

6 activity values

2 unique targets

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4530442

Name:
methyl (E)-(3-(1-chloro-3,4-dihydronaphthalen-2-yl)acryloyl)-L-tyrosinate

Mol. Formula:
C23H22ClNO4

M.W.:
411.89

10 activity values

3 unique targets

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS