Compounds

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4776370

Name:
9,10-dihydroxy-5,8-dihydro-4H-spiro[anthracene-1,1
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Mol. Formula:
C18H18O3

M.W.:
282.34

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4780580

Name:
4,4-diethyl-9,10-dihydroxy-5,8-dihydroanthracen-1(
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Mol. Formula:
C18H20O3

M.W.:
284.36

18 activity values

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4778303

Name:
4,4-diethyl-5,8-dihydroxynaphthalen-1(4H)-one

Mol. Formula:
C14H16O3

M.W.:
232.28

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA4588877

Name:
N-(4-hydroxyphenethyl)-3-(3,4,5-trimethoxyphenyl)a
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Mol. Formula:
C20H23NO5

M.W.:
357.41

3 activity values

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
77.02

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4795847

Name:
5',8'-dihydroxy-4'H-spiro[cyclopentane-1,1'-naphth
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Cas Number:
104260-73-3

Mol. Formula:
C14H14O3

M.W.:
230.26

17 activity values

Type:
Unknown

AlogP:
2.66

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.67

DETAILS

ALA4793977

Name:
(9,10-dihydroxy-4,5,5-trimethyl-8-oxo-1,4,5,8-tetr
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Mol. Formula:
C25H30O5

M.W.:
410.51

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
83.83

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4793216

Name:
5,8-dihydroxy-4,4-dimethyl-2-hexylnaphthalen-1(4H)
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Mol. Formula:
C18H24O3

M.W.:
288.39

1 activity values

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4786818

Name:
5,8-dihydroxy-4,4,6,7-tetramethylnaphthalen-1(4H)-
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Mol. Formula:
C14H16O3

M.W.:
232.28

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.68

DETAILS

ALA4797406

Name:
5,8-dihydroxy-4,4-dimethyl-2-pentylnaphthalen-1(4H
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Mol. Formula:
C17H22O3

M.W.:
274.36

1 activity values

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4095583

Name:
(E)-4-(3-((2-(2-hydroxybenzoyl)hydrazono)methyl)ph
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Mol. Formula:
C22H16N4O7S

M.W.:
480.46

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
158.03

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4086936

Name:
(E)-3-hydroxy-N'-(3-hydroxybenzylidene)benzohydraz
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Mol. Formula:
C14H12N2O3

M.W.:
256.26

3 activity values

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
81.92

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4085341

Name:
(E)-4-(4-((2-(2-hydroxybenzoyl)hydrazono)methyl)ph
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Mol. Formula:
C22H16N4O7S

M.W.:
480.46

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
158.03

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4084418

Name:
N'-(4-chlorobenzylidene)-3,6-dimethyl-1-phenyl-1H-
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Mol. Formula:
C22H18ClN5O

M.W.:
403.87

24 activity values

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
72.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4089783

Name:
N'-(4-hydroxybenzylidene)-3,6-dimethyl-1-phenyl-1H
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Mol. Formula:
C22H19N5O2

M.W.:
385.43

25 activity values

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
92.40

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3984207

Name:
2-(((trans)-4-((3-benzhydrylureido)methyl)cyclohex
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Mol. Formula:
C24H30N2O4

M.W.:
410.51

2 activity values

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
87.66

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4071945

Name:
(E)-4-(4-((2-(3-hydroxybenzoyl)hydrazono)methyl)ph
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Mol. Formula:
C22H16N4O7S

M.W.:
480.46

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
158.03

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4071381

Name:
N'-(4-fluorobenzylidene)-3,6-dimethyl-1-phenyl-1H-
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Mol. Formula:
C22H18FN5O

M.W.:
387.42

23 activity values

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
72.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4063158

Name:
(E)-4-(3-((2-(4-hydroxybenzoyl)hydrazono)methyl)ph
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Mol. Formula:
C22H16N4O7S

M.W.:
480.46

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
158.03

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4062734

Name:
N'-(4-bromobenzylidene)-3,6-dimethyl-1-phenyl-1H-p
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Mol. Formula:
C22H18BrN5O

M.W.:
448.32

24 activity values