Compounds

ALA5268810

Name:
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)Show More⌵

Mol. Formula:
C183H303N55O56S6

M.W.:
4362.17

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5278854

Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-Show More⌵

Mol. Formula:
C55H86N16O17

M.W.:
1243.39

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5285300

Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acShow More⌵

Mol. Formula:
C83H114N18O24

M.W.:
1747.93

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5287357

Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3Show More⌵

Mol. Formula:
C45H76N12O13

M.W.:
993.17

Type:
---

AlogP:
-2.50

Polar Surface Area:
399.56

HBA:
14

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
31

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5277547

Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-4Show More⌵

Mol. Formula:
C33H54N10O11

M.W.:
766.85

Type:
---

AlogP:
-3.56

Polar Surface Area:
341.36

HBA:
12

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4871646

Name:
(1R,5R,8S,10S)-1-Acetoxy-8-methoxy-2-oxoeudesman-3,7(11)-dien-8,12-olide

Mol. Formula:
C18H22O6

M.W.:
334.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
78.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4868740

Name:
Methyl plebeiate A; (1R,5S,7R,10S,11R)-methyl 1-acetoxy-5-hydroxy-2,8-dioxoShow More⌵

Mol. Formula:
C18H24O7

M.W.:
352.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.97

Polar Surface Area:
106.97

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4867798

Name:
Salplebeone A

Mol. Formula:
C17H18O5

M.W.:
302.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
69.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4866784

Name:
6-methoxynaringenin

Mol. Formula:
C16H14O6

M.W.:
302.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.52

Polar Surface Area:
96.22

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4859944

Name:
(1S,3S,4S,5S,8S,10R)-3-acetoxy-1-hydroxyeudesman-7(11)-en-8,12-olide

Mol. Formula:
C17H24O5

M.W.:
308.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.98

Polar Surface Area:
72.83

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4857462

Name:
Plebeic acid B; (1R,3S,4R,5R,8S,10S)-3-acetoxy-1,8-dihydroxyeudesman-exo-7-Show More⌵

Mol. Formula:
C17H26O6

M.W.:
326.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.50

Polar Surface Area:
104.06

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4851551

Name:
Salplebeone D

Mol. Formula:
C15H16O4

M.W.:
260.29

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.66

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4850033

Name:
(1S,5S,8R,10R)-l-acetoxy-2-oxoeudesman-3,7(11)-dien-8,12-olide

Mol. Formula:
C17H20O5

M.W.:
304.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.11

Polar Surface Area:
69.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4849521

Name:
1alpha-acetoxy-2-oxo-eudesman-3,7(11)-dien-8alpha,12-olide

Mol. Formula:
C17H20O5

M.W.:
304.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.11

Polar Surface Area:
69.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4847590

Name:
Plebeic acid C; (1S,5R,10R)-1-acetoxy-5,8-dihydroxy-2-oxoeudesman-3,8-dien-Show More⌵

Mol. Formula:
C17H20O7

M.W.:
336.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.43

Polar Surface Area:
121.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4846240

Name:
1alpha-acetoxy-8alpha-hydroxy-2-oxoeudesman-3,7(11)-dien-8,12-olide

Mol. Formula:
C17H20O6

M.W.:
320.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.43

Polar Surface Area:
89.90

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4799959

Name:
NA

Mol. Formula:
C67H77F2N15O13S2

M.W.:
1402.58

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4799936

Name:
NA

Mol. Formula:
C69H82F2N14O12S2

M.W.:
1401.63

2 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4798171

Name:
NA

Mol. Formula:
C68H79F2N15O13S2

M.W.:
1416.60

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4797587

Name:
NA

Mol. Formula:
C70H83F2N13O13S2

M.W.:
1416.64

4 activity values

3 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS