Compounds

ALA5269864

Name:
Balticol A

Mol. Formula:
C14H16O5

M.W.:
264.28

Type:
---

AlogP:
1.62

Polar Surface Area:
83.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5281959

Name:
12a-Dehydroxyisoterreulactone A

Mol. Formula:
C27H32O7

M.W.:
468.55

Type:
---

AlogP:
4.27

Polar Surface Area:
95.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5281767

Name:
Kuwanon X

Mol. Formula:
C34H30O9

M.W.:
582.61

Type:
---

AlogP:
6.22

Polar Surface Area:
178.91

HBA:
9

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5279969

Name:
Kellerin

Mol. Formula:
C26H34O6

M.W.:
442.55

Type:
---

AlogP:
4.71

Polar Surface Area:
85.97

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5279611

Name:
Balticol E

Mol. Formula:
C14H18O6

M.W.:
282.29

Type:
---

AlogP:
0.52

Polar Surface Area:
107.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5279335

Name:
Balticol C

Mol. Formula:
C12H14O6

M.W.:
254.24

Type:
---

AlogP:
-0.26

Polar Surface Area:
107.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5278362

Name:
(4S)-10-hydroxy-10-methyl-11-oxo-dodec-2-en-1,4-olide

Mol. Formula:
C13H20O4

M.W.:
240.30

Type:
---

AlogP:
1.76

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5276394

Name:
Balticol F

Mol. Formula:
C15H18O6

M.W.:
294.30

Type:
---

AlogP:
1.54

Polar Surface Area:
85.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5275862

Name:
4-((4-acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl)methoxy)-Show More⌵

Mol. Formula:
C21H18N2O6

M.W.:
394.38

Type:
---

AlogP:
3.07

Polar Surface Area:
90.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5275645

Name:
Ethyl 2-((6-(2-chloroethyl)-5-methyl-7-oxo-4,5,6,7-tetrahydro-[1,2,4]triazoShow More⌵

Mol. Formula:
C12H17ClN4O3S

M.W.:
332.81

Type:
---

AlogP:
1.63

Polar Surface Area:
86.11

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5274791

Name:
2-acetylbenzo[d][1,2]selenazol-3(2H)-one

Mol. Formula:
C9H7NO2Se

M.W.:
240.12

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5274775

Name:
Balticolid

Mol. Formula:
C12H16O4

M.W.:
224.26

Type:
---

AlogP:
1.14

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5274357

Name:
N-(2-(4-chlorophenyl)-4-oxothiazolidin-3-yl)-2-((2-oxo-2H-chromen-4-yl)oxy)Show More⌵

Mol. Formula:
C20H15ClN2O5S

M.W.:
430.87

Type:
---

AlogP:
3.13

Polar Surface Area:
88.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5273965

Name:
Moracin M 3'-O-beta-glucanopyranoside

Mol. Formula:
C20H20O9

M.W.:
404.37

Type:
---

AlogP:
0.69

Polar Surface Area:
152.98

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5285123

Name:
Balticol B

Mol. Formula:
C12H14O5

M.W.:
238.24

Type:
---

AlogP:
0.63

Polar Surface Area:
86.99

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5284103

Name:
Simplicilliumtide J

Mol. Formula:
C46H73N7O11

M.W.:
900.13

Type:
---

AlogP:
2.30

Polar Surface Area:
275.66

HBA:
11

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5284054

Name:
Aspergillipeptide E

Mol. Formula:
C25H30N4O5

M.W.:
466.54

Type:
---

AlogP:
1.70

Polar Surface Area:
157.54

HBA:
5

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5283799

Name:
Isobutyrolactone II

Mol. Formula:
C18H16O6

M.W.:
328.32

Type:
---

AlogP:
2.51

Polar Surface Area:
96.22

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5290453

Name:
ethyl 3-oxobenzo[d][1,2]selenazole-2(3H)-carboxylate

Mol. Formula:
C10H9NO3Se

M.W.:
270.15

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5290335

Name:
(Z)-N'-(4-methoxybenzylidene)-2-((2-oxo-2H-chromen-4-yl)oxy)acetohydrazide

Mol. Formula:
C19H16N2O5

M.W.:
352.35

Type:
---

AlogP:
2.33

Polar Surface Area:
90.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS