Compounds

ALA5272623

Name:
5-(4-methoxyphenyl)-4-((4-methoxyphenyl)amino)-8-methylpyrano[3',4':5,6]pyrShow More⌵

Mol. Formula:
C25H21N3O5

M.W.:
443.46

Type:
---

AlogP:
4.78

Polar Surface Area:
95.71

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5269092

Name:
3,6,11-trihydroxy-1,1-dimethyl-2,3-dihydropyrano[2,3-c]xanthen-7-one

Mol. Formula:
C18H16O6

M.W.:
328.32

Type:
---

AlogP:
2.74

Polar Surface Area:
100.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5267750

Name:
8-((4-nitrophenyl)amino)-7-phenylchromeno[3',4':5,6]pyrano[2,3-d]pyrimidin-Show More⌵

Mol. Formula:
C26H16N4O5

M.W.:
464.44

Type:
---

AlogP:
5.52

Polar Surface Area:
120.39

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5282545

Name:
8-((3-nitrophenyl)amino)-7-(p-tolyl)chromeno[3',4':5,6]pyrano[2,3-d]pyrimidShow More⌵

Mol. Formula:
C27H18N4O5

M.W.:
478.46

Type:
---

AlogP:
5.83

Polar Surface Area:
120.39

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5282092

Name:
Lankamycin

Mol. Formula:
C42H72O16

M.W.:
833.02

Type:
---

AlogP:
3.50

Polar Surface Area:
212.04

HBA:
16

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5276214

Name:
[5-O-(4',6'-dideoxy-3'-C-acetyl-D-ribohexopyranosyl)-3-O-(4''-O-acetyl-L-arShow More⌵

Mol. Formula:
C42H72O17

M.W.:
849.02

Type:
---

AlogP:
2.82

Polar Surface Area:
232.27

HBA:
17

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5275391

Name:
3,4-Dihydromanzamine A

Mol. Formula:
C36H46N4O2

M.W.:
566.79

Type:
---

AlogP:
5.90

Polar Surface Area:
75.09

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5274745

Name:

Mol. Formula:
C27H18N4O5

M.W.:
478.46

Type:
---

AlogP:
5.83

Polar Surface Area:
120.39

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5290374

Name:
4,8-dihydroxy-2-(1-hydroxy-1-methyl-ethyl)-7-methoxy-6-(3-methylbut-2-enyl)Show More⌵

Mol. Formula:
C24H26O7

M.W.:
426.47

Type:
---

AlogP:
3.95

Polar Surface Area:
109.36

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5277537

Name:
5,7-dihydroxy-6-methyl-4-phenyl-8-(3-phenylpropanoyl)-2H-chromen-2-one

Mol. Formula:
C25H20O5

M.W.:
400.43

Type:
---

AlogP:
5.00

Polar Surface Area:
87.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5219267

Name:
Metamarin

Mol. Formula:
C55H82N8O10

M.W.:
1015.31

9 activity values

5 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5195415

Name:
2-[2-(1,1-dimethylallyl)-1-(3-methylbut-2-enyl)indol-3-yl]-N-methyl-ethanamShow More⌵

Mol. Formula:
C21H30N2

M.W.:
310.49

2 activity values

2 unique targets

Type:
---

AlogP:
4.83

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5194166

Name:
2-[6-bromo-2-(1,1-dimethylallyl)-1-(3-methylbut-2-enyl)indol-3-yl]-N-methylShow More⌵

Mol. Formula:
C21H29BrN2

M.W.:
389.38

3 activity values

3 unique targets

Type:
---

AlogP:
5.60

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5173086

Name:
Amylosporane D

Mol. Formula:
C28H40O4

M.W.:
440.62

9 activity values

9 unique targets

Type:
---

AlogP:
7.56

Polar Surface Area:
74.60

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4591469

Name:
Oxytetracyclin hydrochloride

Mol. Formula:
C22H25ClN2O9

M.W.:
496.90

Type:
Unknown

AlogP:
-1.40

Polar Surface Area:
201.85

HBA:
10

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4589282

Name:
Aurantinin D

Mol. Formula:
C41H54O12

M.W.:
738.87

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
197.12

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4587598

Name:
methyl 20R,24R,25-trihydroxy-2,3-secodammar-2-al-3-oate

Mol. Formula:
C31H54O6

M.W.:
522.77

13 activity values

13 unique targets

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
104.06

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4586649

Name:
Millexatin D

Mol. Formula:
C26H26O6

M.W.:
434.49

10 activity values

9 unique targets

Type:
Unknown

AlogP:
5.53

Polar Surface Area:
89.13

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4583251

Name:
(E)-6-methoxy-N'-(3,4,5-trimethoxybenzylidene)-1,4-dihydroindeno[1,2-c]pyraShow More⌵

Mol. Formula:
C22H22N4O5

M.W.:
422.44

8 activity values

7 unique targets

Type:
Unknown

AlogP:
2.78

Polar Surface Area:
107.06

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4582129

Name:
Sclerosporide

Mol. Formula:
C23H36O7

M.W.:
424.53

11 activity values

10 unique targets

Type:
Unknown

AlogP:
1.60

Polar Surface Area:
105.45

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS