Compounds

ALA5272642

Name:
(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,4-diol

Mol. Formula:
C16H14O5

M.W.:
286.28

Type:
---

AlogP:
2.72

Polar Surface Area:
68.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5272605

Name:
(1S,4aR,6R,6aR,9S,11aS,11bR,12R)-6,12-dihydroxy-4,4,11b-trimethyl-8-methyleShow More⌵

Mol. Formula:
C25H38O5

M.W.:
418.57

Type:
---

AlogP:
3.66

Polar Surface Area:
83.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5272480

Name:
Kamebanin 7,14-acetonide

Mol. Formula:
C23H34O4

M.W.:
374.52

Type:
---

AlogP:
3.87

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5271869

Name:
3-(3-((S)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-Show More⌵

Mol. Formula:
C43H51Cl2N5O7

M.W.:
820.82

Type:
---

AlogP:
6.09

Polar Surface Area:
122.65

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5271434

Name:
(3S,3aR,3a1R,6aR,7aR,11S,11aR,11bS)-5,5,8,8,11a-pentamethyl-13-methylene-12Show More⌵

Mol. Formula:
C25H36O5

M.W.:
416.56

Type:
---

AlogP:
4.44

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5271089

Name:
Pegaharmol A

Mol. Formula:
C26H21N7O2

M.W.:
463.50

Type:
---

AlogP:
3.66

Polar Surface Area:
136.54

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5270950

Name:
Chandolide

Mol. Formula:
C15H20O2

M.W.:
232.32

Type:
---

AlogP:
3.24

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5270902

Name:
Dichapelonin E

Mol. Formula:
C38H48O6

M.W.:
600.80

Type:
---

AlogP:
5.38

Polar Surface Area:
107.22

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5270487

Name:
(1S,4aR,6R,6aR,9S,11aS,11bR,12R)-6,12-dihydroxy-4,4,11b-trimethyl-8-methyleShow More⌵

Mol. Formula:
C25H38O5

M.W.:
418.57

Type:
---

AlogP:
3.81

Polar Surface Area:
83.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5270403

Name:
Jungermannenone A

Mol. Formula:
C20H28O2

M.W.:
300.44

Type:
---

AlogP:
4.05

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5270349

Name:
Cytotrienin A

Mol. Formula:
C37H48N2O8

M.W.:
648.80

Type:
---

AlogP:
5.45

Polar Surface Area:
154.42

HBA:
8

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5269796

Name:
Dengraol B

Mol. Formula:
C32H32O8

M.W.:
544.60

Type:
---

AlogP:
6.10

Polar Surface Area:
106.84

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5269211

Name:
(3S,3aR,3a1R,6aR,7aR,11S,11aR,11bS)-5,5,8,8,11a-pentamethyl-13-methylene-12Show More⌵

Mol. Formula:
C29H44O5

M.W.:
472.67

Type:
---

AlogP:
6.00

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5269088

Name:
1,1'-bis(2-((3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyldecahydro-12H-3,12-eShow More⌵

Mol. Formula:
C44H72N2O8

M.W.:
757.07

Type:
---

AlogP:
7.69

Polar Surface Area:
80.32

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5268132

Name:
Tulipinolide

Mol. Formula:
C17H22O4

M.W.:
290.36

Type:
---

AlogP:
3.09

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5267755

Name:
(+)-peganumine A

Mol. Formula:
C29H30N4O3

M.W.:
482.58

Type:
---

AlogP:
4.40

Polar Surface Area:
73.59

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5282476

Name:
Dichapelonin M

Mol. Formula:
C38H46O7

M.W.:
614.78

Type:
---

AlogP:
5.15

Polar Surface Area:
121.13

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5282431

Name:
Dichapelonin I

Mol. Formula:
C39H52O7

M.W.:
632.84

Type:
---

AlogP:
6.10

Polar Surface Area:
97.61

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5282430

Name:
3-(ethylamino)-7-nitrobenzo[e][1,2,4]triazine 1,4-dioxide

Mol. Formula:
C9H9N5O4

M.W.:
251.20

Type:
---

AlogP:
-0.16

Polar Surface Area:
121.94

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5282250

Name:
3-methoxy-5-(4-methoxyphenethyl)benzene-1,2-diol

Mol. Formula:
C16H18O4

M.W.:
274.32

Type:
---

AlogP:
2.90

Polar Surface Area:
58.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS