Compounds

ALA1795041

Name:
(8S,10S)-10-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-6,8,11-trShow More⌵

Mol. Formula:
C46H48Cl2N4O12S

M.W.:
951.88

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA463266

Name:
3-epikatonic acid

Mol. Formula:
C30H48O3

M.W.:
456.71

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
7.23

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA465067

Name:
12beta-hydroxy-3-oxomultiflora-8-en-29-oic acid

Mol. Formula:
C30H46O4

M.W.:
470.69

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.56

Polar Surface Area:
74.60

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA507006

Name:
2,10-Dihydroxy-6-({[2-(hydroxymethyl)pyridin-4-yl]methyl}amino)-13-(beta-D-Show More⌵

Mol. Formula:
C33H29N5O11

M.W.:
671.62

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.26

Polar Surface Area:
243.09

HBA:
14

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA509544

Name:
2,10-Dihydroxy-6-({[3-(hydroxymethyl)pyridin-4-yl]methyl}amino)-13-(beta-D-Show More⌵

Mol. Formula:
C33H29N5O11

M.W.:
671.62

14 activity values

11 unique targets

Type:
Small molecule

AlogP:
0.26

Polar Surface Area:
243.09

HBA:
14

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA448760

Name:
2,10-Dihydroxy-6-({[6-(hydroxymethyl)pyridin-3-yl]methyl}amino)-13-(beta-D-Show More⌵

Mol. Formula:
C33H29N5O11

M.W.:
671.62

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.26

Polar Surface Area:
243.09

HBA:
14

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA508108

Name:
2,10-Dihydroxy-6-({[5-(hydroxymethyl)pyridin-3-yl]methyl}amino)-13-(beta-D-Show More⌵

Mol. Formula:
C33H29N5O11

M.W.:
671.62

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.26

Polar Surface Area:
243.09

HBA:
14

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA478720

Name:
2,10-Dihydroxy-6-({[3-(hydroxymethyl)pyridin-2-yl]methyl}amino)-13-(beta-D-Show More⌵

Mol. Formula:
C33H29N5O11

M.W.:
671.62

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.26

Polar Surface Area:
243.09

HBA:
14

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA446276

Name:
2,10-Dihydroxy-6-({[4-(hydroxymethyl)pyridin-2-yl]methyl}amino)-13-(beta-D-Show More⌵

Mol. Formula:
C33H29N5O11

M.W.:
671.62

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.26

Polar Surface Area:
243.09

HBA:
14

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA507295

Name:
2,10-Dihydroxy-6-({[5-(hydroxymethyl)pyridin-2-yl]methyl}amino)-13-(beta-D-Show More⌵

Mol. Formula:
C33H29N5O11

M.W.:
671.62

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.26

Polar Surface Area:
243.09

HBA:
14

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA474561

Name:
2,10-Dihydroxy-6-({[6-(hydroxymethyl)pyridin-2-yl]methyl}amino)-13-(beta-D-Show More⌵

Mol. Formula:
C33H29N5O11

M.W.:
671.62

14 activity values

11 unique targets

Type:
Small molecule

AlogP:
0.26

Polar Surface Area:
243.09

HBA:
14

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA449831

Name:
2,10-Dihydroxy-6-{[3-(hydroxymethyl)benzyl]amino}-13-(beta-Dglucopyranosyl)Show More⌵

Mol. Formula:
C34H30N4O11

M.W.:
670.63

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.86

Polar Surface Area:
230.20

HBA:
13

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA505815

Name:
2,10-Dihydroxy-6-[(3-hydroxybenzyl)amino]-13-(beta-D-glucopyranosyl)-12,13-Show More⌵

Mol. Formula:
C33H28N4O11

M.W.:
656.60

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.08

Polar Surface Area:
230.20

HBA:
13

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA117315

Name:
2,10-Dihydroxy-6-{[4-(hydroxymethyl)benzyl]amino}-13-(beta-D-glucopyranosylShow More⌵

Mol. Formula:
C34H30N4O11

M.W.:
670.63

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.86

Polar Surface Area:
230.20

HBA:
13

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA507686

Name:
2,10-Dihydroxy-6-[(4-hydroxybenzyl)amino]-13-(beta-D-glucopyranosyl)-12,13-Show More⌵

Mol. Formula:
C33H28N4O11

M.W.:
656.60

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.08

Polar Surface Area:
230.20

HBA:
13

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA463738

Name:
2,10-Dihydroxy-6-[(4-cyanobenzyl)amino]-13-(beta-D-glucopyranosyl)-12,13-diShow More⌵

Mol. Formula:
C34H27N5O10

M.W.:
665.62

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.24

Polar Surface Area:
233.76

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA447330

Name:
2,10-Dihydroxy-6-[(4-bromobenzyl)amino]-13-(beta-D-glucopyranosyl)-12,13-diShow More⌵

Mol. Formula:
C33H27BrN4O10

M.W.:
719.50

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
209.97

HBA:
12

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA455326

Name:
2,10-Dihydroxy-6-[(4-nitrolbenzyl)amino]-13-(beta-D-glucopyranosyl)-12,13-dShow More⌵

Mol. Formula:
C33H27N5O12

M.W.:
685.60

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
253.11

HBA:
14

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA499103

Name:
2,10-Dihydroxy-6-[(4-methylbenzyl)amino]-13-(beta-D-glucopyranosyl)-12,13-dShow More⌵

Mol. Formula:
C34H30N4O10

M.W.:
654.63

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
209.97

HBA:
12

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA450991

Name:
2,10-Dihydroxy-6-[(quinolin-3-ylmethyl)amino]-13-(beta-D-glucopyranosyl)-12Show More⌵

Mol. Formula:
C36H29N5O10

M.W.:
691.65

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
222.86

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.12

DETAILS