Compounds

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4865394

Name:
(Z)-2-(2S,4R)-(2,4-Dihydroxy-2,6,6-trimethylcyclohexylidene)acetic acid

Mol. Formula:
C11H18O4

M.W.:
214.26

Type:
Unknown

AlogP:
0.93

Polar Surface Area:
77.76

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4859666

Name:
Hodiendiol I

Mol. Formula:
C10H18O2

M.W.:
170.25

Type:
Unknown

AlogP:
1.64

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4855099

Name:
Caryolane 1,9-beta-diol

Mol. Formula:
C15H26O2

M.W.:
238.37

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.68

DETAILS

ALA4852739

Name:
1alpha-Hydroxydemethylsalvicanol

Mol. Formula:
C20H30O4

M.W.:
334.46

24 activity values

6 unique targets

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4848158

Name:
Isocaryolane 1alpha-9beta-diol

Mol. Formula:
C15H26O2

M.W.:
238.37

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.68

DETAILS

ALA4847962

Name:
Acetoxyclovan-9-ol

Mol. Formula:
C17H28O3

M.W.:
280.41

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4847399

Name:
3alpha,12beta-Dihydroxycaryophyllene

Mol. Formula:
C15H24O2

M.W.:
236.35

Type:
Unknown

AlogP:
2.67

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA4799706

Name:
5-(2-chlorobenzylidene)-2-(6-methoxybenzo[d]thiazol-2-ylimino)thiazolidin-4Show More⌵

Mol. Formula:
C18H12ClN3O2S2

M.W.:
401.90

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
63.58

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4789191

Name:
5-benzylidene-2-(6-methoxybenzo[d]thiazol-2-ylimino)thiazolidin-4-one

Mol. Formula:
C18H13N3O2S2

M.W.:
367.45

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
63.58

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4780208

Name:
2-(6-methoxybenzo[d]thiazol-2-ylimino)-5-(4-methoxybenzylidene)thiazolidin-Show More⌵

Mol. Formula:
C19H15N3O3S2

M.W.:
397.48

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
72.81

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4778989

Name:
5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-(6-methoxybenzo[d]thiazol-2-yliminShow More⌵

Mol. Formula:
C20H17N3O5S2

M.W.:
443.51

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
102.27

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4757973

Name:
2-(6-methoxybenzo[d]thiazol-2-ylimino)-5-(4-nitrobenzylidene)thiazolidin-4-Show More⌵

Mol. Formula:
C18H12N4O4S2

M.W.:
412.45

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
106.72

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4752984

Name:
5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-(6-methoxybenzo[d]thiazol-2-yliShow More⌵

Mol. Formula:
C19H14IN3O4S2

M.W.:
539.38

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
93.04

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4751683

Name:
5-(4-hydroxybenzylidene)-2-(6-methoxybenzo[d]thiazol-2-ylimino)thiazolidin-Show More⌵

Mol. Formula:
C18H13N3O3S2

M.W.:
383.45

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
83.81

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4749213

Name:
2-(6-methoxybenzo[d]thiazol-2-ylimino)-5-(2-nitrobenzylidene)thiazolidin-4-Show More⌵

Mol. Formula:
C18H12N4O4S2

M.W.:
412.45

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
106.72

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4749023

Name:
5-(4-hydroxy-3-methoxybenzylidene)-2-(6-methoxybenzo[d]thiazol-2-ylimino)thShow More⌵

Mol. Formula:
C19H15N3O4S2

M.W.:
413.48

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
93.04

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4742142

Name:
2-(6-methoxybenzo[d]thiazol-2-ylimino)-5-(3-nitrobenzylidene)thiazolidin-4-Show More⌵

Mol. Formula:
C18H12N4O4S2

M.W.:
412.45

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
106.72

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4742001

Name:
5-(3-chlorobenzylidene)-2-(6-methoxybenzo[d]thiazol-2-ylimino)thiazolidin-4Show More⌵

Mol. Formula:
C18H12ClN3O2S2

M.W.:
401.90