Compounds

Type:
---

AlogP:
3.07

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5200536

Name:
(5aS,14aS)-12-(4-methoxyphenyl)-1,2,3,5a,6,14a-hexahydropyrrolo[1'',2'':4',Show More⌵

Mol. Formula:
C24H23N3O3

M.W.:
401.47

Type:
---

AlogP:
3.02

Polar Surface Area:
65.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5189899

Name:
(5aS,14aS)-12-(4-hydroxy-3-methoxyphenyl)-1,2,3,5a,6,14a-hexahydropyrrolo[1Show More⌵

Mol. Formula:
C24H23N3O4

M.W.:
417.47

Type:
---

AlogP:
2.73

Polar Surface Area:
85.87

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5189837

Name:
(5aS,14aS)-12-(4-nitrophenyl)-1,2,3,5a,6,14a-hexahydropyrrolo[1'',2'':4',5'Show More⌵

Mol. Formula:
C23H20N4O4

M.W.:
416.44

Type:
---

AlogP:
2.92

Polar Surface Area:
99.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5189250

Name:
(5aS,14aS)-12-isopropyl-1,2,3,5a,6,14a-hexahydropyrrolo[1'',2'':4',5']pyrazShow More⌵

Mol. Formula:
C20H23N3O2

M.W.:
337.42

Type:
---

AlogP:
2.62

Polar Surface Area:
56.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5188621

Name:
(5aS,14aS)-12-phenyl-1,2,3,5a,6,14a-hexahydropyrrolo[1'',2'':4',5']pyrazinoShow More⌵

Mol. Formula:
C23H21N3O2

M.W.:
371.44

Type:
---

AlogP:
3.02

Polar Surface Area:
56.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5185044

Name:
Penicibilaene A

Mol. Formula:
C15H24O2

M.W.:
236.35

1 activity values

Type:
---

AlogP:
2.50

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

ALA5175206

Name:
(5aS,14aS)-12-(4-hydroxyphenyl)-1,2,3,5a,6,14a-hexahydropyrrolo[1'',2'':4',Show More⌵

Mol. Formula:
C23H21N3O3

M.W.:
387.44

Type:
---

AlogP:
2.72

Polar Surface Area:
76.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2287144

Name:
13-Epigloeosporone

Mol. Formula:
C18H34N2O4

M.W.:
342.48

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2287143

Name:
7-Epigloeosporone

Mol. Formula:
C18H34N2O4

M.W.:
342.48

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2287142

Name:
(+)-gloeosporone

Mol. Formula:
C18H30O4

M.W.:
310.43

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2287141

Name:
(-)-gloeosporone

Mol. Formula:
C18H30O4

M.W.:
310.43

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2287140

Name:
cis-3-ethylideneindolin-2-one

Mol. Formula:
C10H9NO

M.W.:
159.19

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.58

DETAILS

ALA2287139

Name:
trans-3-ethylideneindolin-2-one

Mol. Formula:
C10H9NO

M.W.:
159.19

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.58

DETAILS

ALA2251659

Name:
(R)-1-(3-chlorophenyl)propyl acetate

Mol. Formula:
C11H13ClO2

M.W.:
212.68

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2251658

Name:
(R)-1-(3-chlorophenyl)propan-1-ol

Mol. Formula:
C9H11ClO

M.W.:
170.64

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA2251657

Name:
(S)-1-(3-chlorophenyl)propan-1-ol

Mol. Formula:
C9H11ClO

M.W.:
170.64

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA2251656

Name:
(+/-)-1-(3-chlorophenyl)propan-1-ol

Mol. Formula:
C9H11ClO

M.W.:
170.64