Compounds

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4559862

Name:
2-methoxy-5-(1-(3,4,5-trimethoxyphenyl)vinyl)cyclo
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Mol. Formula:
C18H18O6

M.W.:
330.34

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
71.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4556846

Name:
5-cyclopropyl-3,4-dimethyl-N-(oxetan-3-yl)thieno[2
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Mol. Formula:
C15H17N3O2S

M.W.:
303.39

Type:
Unknown

AlogP:
2.31

Polar Surface Area:
64.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA4552552

Name:
N-(3-fluoro-4-methoxybenzyl)-3,4-dimethylthieno[2,
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Mol. Formula:
C17H16FN3O2S

M.W.:
345.40

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
64.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4517529

Name:
5-ethyl-N-(3-fluoro-4-methoxybenzyl)-3,4-dimethylt
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Mol. Formula:
C19H20FN3O2S

M.W.:
373.45

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
64.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5286337

Name:
10,13-dimethyl-17-(2-methylthiazol-5-yl)-2,3,4,7,8
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Mol. Formula:
C23H31NOS

M.W.:
369.57

Type:
---

AlogP:
5.77

Polar Surface Area:
33.12

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5289346

Name:
Isavuconazonium

Mol. Formula:
C35H39F2N8O5S+

M.W.:
721.81

Type:
---

AlogP:
3.70

Polar Surface Area:
158.51

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5289235

Name:
Lorlatinib

Mol. Formula:
C23H21FN4O2

M.W.:
404.45

Type:
---

AlogP:
3.91

Polar Surface Area:
79.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4467950

Name:
N-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-3,
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Mol. Formula:
C20H20N2O3S

M.W.:
368.46

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
60.45

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4467169

Name:
3-(1-(2-methylquinolin-4-yl)vinyl)-9H-carbazole

Mol. Formula:
C24H18N2

M.W.:
334.42

Type:
Unknown

AlogP:
6.24

Polar Surface Area:
28.68

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4466674

Name:
4-(1-(3-hydroxy-4-methoxyphenyl)vinyl)-2,6-dimetho
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Mol. Formula:
C17H18O5

M.W.:
302.33

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
68.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4466551

Name:
5-cyclopropyl-N-(3-fluoro-4-methoxybenzyl)-3,4-dim
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Mol. Formula:
C20H20FN3O2S

M.W.:
385.46

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
64.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4563934

Name:
N-((2,3-dihydrobenzofuran-5-yl)methyl)-3,4,6-trime
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Mol. Formula:
C20H20N2O2S

M.W.:
352.46

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5204814

Name:
6-methoxy-2-(4-(trifluoromethyl)phenyl)-4H-chromen
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Mol. Formula:
C17H11F3O3

M.W.:
320.27

Type:
---

AlogP:
4.49

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5201647

Name:
2-(3,4-dimethoxyphenyl)-6-methoxy-4H-chromen-4-one

Cas Number:
370583-46-3

Mol. Formula:
C18H16O5

M.W.:
312.32

Type:
---

AlogP:
3.49

Polar Surface Area:
57.90

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5188121

Name:
3-(2-methoxyphenyl)-4H-chromen-4-one

Mol. Formula:
C16H12O3

M.W.:
252.27

Type:
---

AlogP:
3.47

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5177455

Name:
2-(4-bromophenyl)-6-hydroxy-4H-chromen-4-one

Mol. Formula:
C15H9BrO3

M.W.:
317.14

Type:
---

AlogP:
3.93

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5176950

Name:
2-(4-bromophenyl)-6-methoxy-4H-thromen-4-one

Mol. Formula:
C16H11BrO3

M.W.:
331.17

Type:
---

AlogP:
4.23

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4458842

Name:
(6,8-Dimethyl-1H-pyrazolo[3',4':4,5]thieno[2,3-b]p
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Mol. Formula:
C18H18N4OS

M.W.:
338.44

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
62.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4453881

Name:
N-(6-methoxybenzo[d]thiazol-2-yl)-2-(4-(2-methylpy
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Mol. Formula:
C22H19N3O2S

M.W.:
389.48