Compounds

Type:
Small molecule

AlogP:
0.43

Polar Surface Area:
186.02

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4299220

Name:
5'-[N-(D-Biotinoyl)sulfamoyl]amino-3',5'-dideoxyadenosine Triethylammonium Show More⌵

Mol. Formula:
C26H44N10O6S2

M.W.:
656.84

Type:
Small molecule

AlogP:
-1.27

Polar Surface Area:
215.48

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4299219

Name:
(2'R,6'S)-9-[6'-({[N-(D-Biotinoyl)sulfamoyl]oxy}methyl)-morpholin-2'-yl]adeShow More⌵

Mol. Formula:
C26H44N10O6S2

M.W.:
656.84

Type:
Small molecule

AlogP:
-1.00

Polar Surface Area:
204.48

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4299218

Name:
5'-O-[N-(D-Biotinoyl)sulfamoyl]-beta-2'-methyladenosine Triethylammonium SaShow More⌵

Mol. Formula:
C27H45N9O8S2

M.W.:
687.85

Type:
Small molecule

AlogP:
-1.48

Polar Surface Area:
232.91

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4299217

Name:
9-{5'-O-[N-(D-Biotinoyl)sulfamoyl]-2'-deoxy-2'-fluoro-beta-DarabinofuranosyShow More⌵

Mol. Formula:
C26H42FN9O7S2

M.W.:
675.81

Type:
Small molecule

AlogP:
-0.89

Polar Surface Area:
212.68

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4299216

Name:
9-[({N-[D-Biotinoyl))sulfamoyl]amino}ethoxy)methyl]adenine TriethylammoniumShow More⌵

Mol. Formula:
C24H42N10O5S2

M.W.:
614.80

Type:
Small molecule

AlogP:
-0.94

Polar Surface Area:
195.25

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4299215

Name:
(1'R,4'S)-9-[4-({[N-[(D-Biotinoyl)sulfamoyl]amino}methyl)-cyclopent-2'-en-1Show More⌵

Mol. Formula:
C27H44N10O4S2

M.W.:
636.85

Type:
Small molecule

AlogP:
0.20

Polar Surface Area:
186.02

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4299214

Name:
5'-[N-(D-Biotinoyl)sulfamoyl]amino-2',5'-dideoxy-2'-fluoroadenosine TriethyShow More⌵

Mol. Formula:
C26H43FN10O6S2

M.W.:
674.83

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
-1.32

Polar Surface Area:
215.48

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4299213

Name:
9-{2'-Azido-5'-O-[N-(D-biotinoyl)sulfamoyl]-2'-deoxy-beta-D-arabinofuranosyShow More⌵

Mol. Formula:
C26H43N13O6S2

M.W.:
697.85

Type:
Small molecule

AlogP:
-0.98

Polar Surface Area:
264.24

HBA:
13

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4299212

Name:
2'-Amino-5'-[N-(D-biotinoyl)sulfamoyl]amino-3',5'-dideoxyadenosine

Mol. Formula:
C26H45N11O6S2

M.W.:
671.85

Type:
Small molecule

AlogP:
-2.33

Polar Surface Area:
241.50

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4299211

Name:
2'-Azido-5'-[N-(D-biotinoyl)sulfamoyl]amino-3',5'-dideoxyadenosineTriethylaShow More⌵

Mol. Formula:
C26H43N13O6S2

M.W.:
697.85

Type:
Small molecule

AlogP:
-0.98

Polar Surface Area:
264.24

HBA:
13

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4299210

Name:
5'-[N-[(D-Biotinoyl)sulfamoyl]amino-5'-deoxyaristeromycin Triethylammonium Show More⌵

Mol. Formula:
C27H46N10O6S2

M.W.:
670.86