Compounds

Type:
---

AlogP:
3.56

Polar Surface Area:
91.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5078146

Name:
(E)-5-(Hydroxymethyl)-3-(3-isobutyl-5-methylhexylidene)-5-((4-p-tolyl-1H-1,Show More⌵

Mol. Formula:
C26H37N3O3

M.W.:
439.60

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
77.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5077090

Name:
(E)-5-(hydroxymethyl)-3-(3-isobutyl-5-methylhexylidene)-5-(((5-methylisoxazShow More⌵

Mol. Formula:
C21H33NO5

M.W.:
379.50

3 unique targets

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
81.79

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5073206

Name:
(E)-5-(Hydroxymethyl)-3-(3-isobutyl-5-methylhexylidene)-5-((5-phenyl-2H-tetShow More⌵

Mol. Formula:
C24H34N4O3

M.W.:
426.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
90.13

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4294912

Name:
12-hydroxy-2,3,8,9-tetrahydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-1-one

Mol. Formula:
C20H13N3O2

M.W.:
327.34

6 activity values

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
80.91

HBA:
2

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4284524

Name:
5-hydroxy-2,3,8,9-tetrahydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-1-one

Mol. Formula:
C20H13N3O2

M.W.:
327.34

6 activity values

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
80.91

HBA:
2

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4284275

Name:
12-hydroxy-3-methoxy-2,3,8,9-tetrahydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbaShow More⌵

Mol. Formula:
C21H15N3O3

M.W.:
357.37

6 activity values

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
90.14

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4175934

Name:
(E)-(4-(4-Chlorobenzylidene)-2-(hydroxymethyl)-5-oxotetrahydrofuran-2-yl)meShow More⌵

Mol. Formula:
C21H19ClO6

M.W.:
402.83

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
82.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4175761

Name:
(E)-(4-((1-(Cyclopropylmethyl)-1H-indol-3-yl)methylene)-2-(hydroxymethyl)-5Show More⌵

Mol. Formula:
C24H29NO5

M.W.:
411.50

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
77.76

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4175742

Name:
(E)-(2-(Hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethylene)-tetrahydrofuran-2-ylShow More⌵

Mol. Formula:
C19H16ClNO5

M.W.:
373.79

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
85.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4175333

Name:
(Z)-(4-(Benzo[b]thiophen-3-ylmethylene)-2-(hydroxymethyl)-5-oxotetrahydrofuShow More⌵

Mol. Formula:
C20H22O5S

M.W.:
374.46

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
72.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4175128

Name:
(E)-(4-(4-Chlorobenzylidene)-2-(hydroxymethyl)-5-oxotetrahydrofuran-2-yl)meShow More⌵

Mol. Formula:
C22H22ClNO5

M.W.:
415.87

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
76.07

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4174723

Name:
(E)-(4-(Benzo[b]thiophen-3-ylmethylene)-2-(hydroxymethyl)-5-oxotetrahydrofuShow More⌵

Mol. Formula:
C20H22O5S

M.W.:
374.46

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
72.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4174397

Name:
(E)-(2-(Hydroxymethyl)-4-(4-methoxybenzylidene)-5-oxotetrahydrofuran-2-yl)mShow More⌵

Mol. Formula:
C21H19ClO6

M.W.:
402.83

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
82.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4173300

Name:
(E)-(2-(Hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethylene)-tetrahydrofuran-2-ylShow More⌵

Mol. Formula:
C17H21NO5

M.W.:
319.36

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
85.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4172461

Name:
(E)-(4-(4-Chlorobenzylidene)-2-(hydroxymethyl)-5-oxotetrahydrofuran-2-yl)meShow More⌵

Mol. Formula:
C20H16Cl2O5

M.W.:
407.25

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
72.83

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4171253

Name:
(E)-(2-(Hydroxymethyl)-4-((5-methoxy-1-methyl-1H-indol-3-yl)-methylene)-5-oShow More⌵

Mol. Formula:
C22H27NO6

M.W.:
401.46

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
86.99

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4170651

Name:
((E)-2-(Hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)methylene)-5-oxotetrahydrShow More⌵

Mol. Formula:
C24H22N2O5

M.W.:
418.45

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
90.65

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4170226

Name:
((E)-2-(Hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)methylene)-5-oxotetrahydrShow More⌵

Mol. Formula:
C28H26N2O5

M.W.:
470.53