Compounds

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
79.20

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2297520

Name:
4-{4-[3-(4-Chloro-phenyl)-2-(4-chloro-phenylimino)-4-oxo-thiazolidin-5-ylidShow More⌵

Mol. Formula:
C30H20Cl2N2O4S

M.W.:
575.47

Type:
Small molecule

AlogP:
8.08

Polar Surface Area:
79.20

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2297518

Name:
4-[3-(4-Bromo-phenyl)-2-(4-bromo-phenylimino)-4-oxo-thiazolidin-5-ylidenemeShow More⌵

Mol. Formula:
C23H14Br2N2O3S

M.W.:
558.25

Type:
Small molecule

AlogP:
6.72

Polar Surface Area:
69.97

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2297517

Name:
4-[3-(4-Fluoro-phenyl)-2-(4-fluoro-phenylimino)-4-oxo-thiazolidin-5-ylideneShow More⌵

Mol. Formula:
C23H14F2N2O3S

M.W.:
436.44

Type:
Small molecule

AlogP:
5.47

Polar Surface Area:
69.97

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2297516

Name:
4-(4-Oxo-3-phenyl-2-phenylimino-thiazolidin-5-ylidenemethyl)-benzoic acid

Mol. Formula:
C23H16N2O3S

M.W.:
400.46

Type:
Small molecule

AlogP:
5.19

Polar Surface Area:
69.97

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2297515

Name:
2-(4-((3-(2-ethylphenyl)-2-(2-ethylphenylimino)-4-oxothiazolidin-5-ylidene)Show More⌵

Mol. Formula:
C29H28N2O5S

M.W.:
516.62

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
88.43

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2297514

Name:
{3-[3-(4-Chloro-phenyl)-2-(4-chloro-phenylimino)-4-oxothiazolidin-5-ylideneShow More⌵

Mol. Formula:
C24H16Cl2N2O4S

M.W.:
499.38

Type:
Small molecule

AlogP:
6.27

Polar Surface Area:
79.20

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2297513

Name:
{4-[3-(4-Chloro-phenyl)-2-(4-chloro-phenylimino)-4-oxothiazolidin-5-ylideneShow More⌵

Mol. Formula:
C25H18Cl2N2O5S

M.W.:
529.40

Type:
Small molecule

AlogP:
6.27

Polar Surface Area:
88.43

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2297509

Name:
{4-[3-(4-Fluoro-phenyl)-2-(4-fluoro-phenylimino)-4-oxothiazolidin-5-ylideneShow More⌵

Mol. Formula:
C24H16F2N2O4S

M.W.:
466.47

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
79.20

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA508576

Name:
vellerdiol

Mol. Formula:
C15H24O2

M.W.:
236.35

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA479504

Name:
vellerol

Mol. Formula:
C15H22O2

M.W.:
234.34

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA518293

Name:
Isovellerol

Mol. Formula:
C15H22O2

M.W.:
234.34

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.65

DETAILS

ALA479316

Name:
Lactarane

Mol. Formula:
C15H20O2

M.W.:
232.32

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA474061

Name:
Stearoylvelutinal

Mol. Formula:
C34H58O3

M.W.:
514.84

Type:
Small molecule

AlogP:
9.21

Polar Surface Area:
38.83

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA368819

Name:
7-[2-(5-(Acetyl-hydroxy-amino)-2-{5-(acetyl-hydroxy-amino)-2-[5-(acetyl-hydShow More⌵

Mol. Formula:
C37H52ClN9O13

M.W.:
866.33