Compounds

Type:
Unknown

AlogP:
3.27

Polar Surface Area:
91.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4520450

Name:
2,7-dihydroxy-4-(4-methoxybenzoyl)-5-methylcyclohe
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Mol. Formula:
C16H14O5

M.W.:
286.28

Type:
Unknown

AlogP:
2.01

Polar Surface Area:
83.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4533691

Name:
2,7-dihydroxy-4-methyl-5-(4-(naphthalen-2-yl)pheny
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Mol. Formula:
C24H18O3

M.W.:
354.41

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4531945

Name:
2,7-dihydroxy-4-methyl-5-[3-(1-naphthyl)benzoyl]cy
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Mol. Formula:
C25H18O4

M.W.:
382.42

Type:
Unknown

AlogP:
4.82

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4531506

Name:
6-(Benzo[d][1,3]dioxol-5-yl)-3-(4-hydroxybutyl)-3,
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Mol. Formula:
C18H17N5O4

M.W.:
367.37

12 activity values

10 unique targets

Type:
Unknown

AlogP:
1.54

Polar Surface Area:
106.67

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4531076

Name:
2,7-dihydroxy-4-methyl-5-(naphthalene-2-carbonyl)c
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Mol. Formula:
C19H14O4

M.W.:
306.32

4 activity values

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4553640

Name:
4-(furan-2-carbonyl)-2,7-dihydroxy-5-methylcyclohe
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Mol. Formula:
C13H10O5

M.W.:
246.22

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
87.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4570915

Name:
11-(2-Methoxy-ethylsulfanyl)-9-methyl-5,6-dihydro-
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Mol. Formula:
C18H18N2OS2

M.W.:
342.49

2 activity values

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
35.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4518982

Name:
2,7-dihydroxy-4-methyl-5-(thiophene-2-carbonyl)cyc
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Mol. Formula:
C13H10O4S

M.W.:
262.29

Type:
Unknown

AlogP:
2.06

Polar Surface Area:
74.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4744420

Name:
2,2-diphenyl-N'-(pyridin-2-ylmethylene)cyclopropan
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Mol. Formula:
C22H19N3O

M.W.:
341.41

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
54.35

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4743769

Name:
N'-(4-(dimethylamino)benzylidene)-2,2-diphenylcycl
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Cas Number:
324032-61-3

Mol. Formula:
C25H25N3O

M.W.:
383.50

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
44.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4741299

Name:
2,2-diphenyl-N'-(3,4,5-trimethoxybenzylidene)cyclo
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Mol. Formula:
C26H26N2O4

M.W.:
430.50

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
69.15

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4762459

Name:
N'-((1H-imidazol-2-yl)methylene)-2,2-diphenylcyclo
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Mol. Formula:
C20H18N4O

M.W.:
330.39

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
70.14

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4761943

Name:
N'-(4-hydroxy-3-methoxybenzylidene)-2,2-diphenylcy
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Mol. Formula:
C24H22N2O3

M.W.:
386.45

Type:
Unknown

AlogP:
3.86

Polar Surface Area:
70.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4573564

Name:
2,7-dihydroxy-4-methyl-5-(3-(naphthalen-2-yl)pheny
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Mol. Formula:
C24H18O3

M.W.:
354.41

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4757292

Name:
N'-(4-bromobenzylidene)-2,2-diphenylcyclopropaneca
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Mol. Formula:
C23H19BrN2O

M.W.:
419.32

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
41.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4780283

Name:
N'-((1H-pyrrol-2-yl)methylene)-2,2-bis(4-(trifluor
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Mol. Formula:
C23H17F6N3O3

M.W.:
497.39

4 activity values

2 unique targets

Type:
Unknown

AlogP:
5.27

Polar Surface Area:
75.71

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4591403

Name:
3-(4-Hydroxybutyl)-6-(4-(trifluoromethyl)phenyl)-3
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Mol. Formula:
C18H16F3N5O2

M.W.:
391.35

12 activity values

10 unique targets

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
88.21

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4584517

Name:
(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy
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Mol. Formula:
C33H53NO4

M.W.:
527.79

2 activity values

Type:
Unknown

AlogP:
5.83

Polar Surface Area:
86.63

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4752447

Name:
N'-((1H-imidazol-4-yl)methylene)-2,2-diphenylcyclo
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Mol. Formula:
C20H18N4O

M.W.:
330.39