Compounds

3 unique targets

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
196.99

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4746132

Name:
1-O-Butylpyrene-2-O-methyl-rac-glycer-3-yl-beta-D-galactopyranosyl-(1->4)-bShow More⌵

Mol. Formula:
C36H48O13

M.W.:
688.77

3 unique targets

Type:
Unknown

AlogP:
-0.14

Polar Surface Area:
196.99

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3392239

Name:
6,12-Diaza-3(1,4)-benza-1,5(l,4)-di(7-chloroquinolinacyclododecaphanium di-Show More⌵

Mol. Formula:
C35H30Cl2F6N4O4

M.W.:
755.54

Type:
Small molecule

AlogP:
7.28

Polar Surface Area:
31.82

HBA:
2

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3221416

Name:
1-O-hexadecyl-2-O-methyl-sn-glycer-3-yl alpha-D-galactopyranosyl-(1->6)-alpShow More⌵

Mol. Formula:
C38H78NO16P

M.W.:
836.01

2 unique targets

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
243.52

HBA:
15

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3221415

Name:
1-O-hexadecyl-2-O-methyl-sn-glycer-3-yl alpha-D-glucopyranosyl-(1->4)-alphaShow More⌵

Mol. Formula:
C38H78NO16P

M.W.:
836.01

2 unique targets

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
243.52

HBA:
15

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3221414

Name:
1-O-hexadecyl-2-O-methyl-sn-glycer-3-yl alpha-D-glucopyranosyl-(1->4)-alphaShow More⌵

Mol. Formula:
C38H78NO16P

M.W.:
836.01

2 unique targets

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
243.52

HBA:
15

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2391829

Name:
8,14-Diaza-4-oxa-1,7(1,4)-diquinolinacyclotetradecaphaniumdibromide

Mol. Formula:
C27H32Br2N4O

M.W.:
588.39

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
41.05

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2391828

Name:
8,14-Diaza-11-oxa-l,7(1,4)-diquinolinacyclotetradecaphaniumdiiodide

Mol. Formula:
C27H32I2N4O

M.W.:
682.39

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
41.05

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2391827

Name:
4,11-Dimethyl-8,14-diaza-1,7(1,4)-diquinolinacyclotetradecaphaniumdi-trifluShow More⌵

Mol. Formula:
C34H40F6N4O5

M.W.:
698.71

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
31.82

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2391826

Name:
4-Methyl-8,14-diaza-1,7(1,4)-diquinolinacyclotetradecaphaniumdi-trifluoroacShow More⌵

Mol. Formula:
C33H38F6N4O5

M.W.:
684.68

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
31.82

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2391825

Name:
11-Methyl-8,l4-diaza-1,7(1,4)-diquinolinacyclotetradecaphaniumdi-trifluoroaShow More⌵

Mol. Formula:
C33H38F6N4O5

M.W.:
684.68

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
31.82

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2390965

Name:
2,6-Diaza-1,7(1,4)-diquinolina-4(1,4)-cyclohexanacyclododecaphaniumdi-triflShow More⌵

Mol. Formula:
C35H40F6N4O5

M.W.:
710.72

Type:
Small molecule

AlogP:
6.08

Polar Surface Area:
31.82

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2391824

Name:
42-Hydroxy-45-iodo-2,6-diaza-l,7(1,4)-diquinolina-4(1,3)-benzenacyclododecaShow More⌵

Mol. Formula:
C35H33F6IN4O6

M.W.:
846.56

Type:
Small molecule

AlogP:
6.29

Polar Surface Area:
52.05

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA2391823

Name:
42-Hydroxy-2,6-diaza-1,7(1,4)-diquinolina-4(1,3)-benzenacyclododecaphaniumdShow More⌵

Mol. Formula:
C35H34F6N4O6

M.W.:
720.67

Type:
Small molecule

AlogP:
5.68

Polar Surface Area:
52.05

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2391822

Name:
42-Methoxy-2,6-diaza-l,7(1,4)-diquinolina-4(1,3)-benzenacyclododecaphaniumdShow More⌵

Mol. Formula:
C36H36F6N4O6

M.W.:
734.69

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
41.05

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2391821

Name:
2,6-Diaza-1,7(1,4)diquinolina-4(1,3)-benzenacyclododecaphaniumdi-trifluoroaShow More⌵

Mol. Formula:
C35H32F6N4O4

M.W.:
686.65

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
31.82

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2391820

Name:
2,7-Diaza-1,8(1,4)-diquinolinacyclotridecaphanium-4-enedi-trifluoroacetate Show More⌵

Mol. Formula:
C31H32F6N4O5

M.W.:
654.61

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
31.82

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2391819

Name:
7,13-Diaza-l,6(1,4)-diquinolinacyclotridecaphanium-3-enedi-trifluoroacetateShow More⌵

Mol. Formula:
C32H36F6N4O6

M.W.:
686.65

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
31.82

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2391818

Name:
8,14-Diaza-10,10,11,11,12,12-hexafluoro-1,7(1,4)-diquinolinacyclotetradecapShow More⌵

Mol. Formula:
C32H30F12N4O5

M.W.:
778.59