Compounds

Type:
Unknown

AlogP:
-5.20

Polar Surface Area:
280.84

HBA:
16

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4798420

Name:
6'-N-(6-methoxy-2-naphthoyl)kanamycin A

Mol. Formula:
C30H44N4O13

M.W.:
668.70

Type:
Unknown

AlogP:
-4.66

Polar Surface Area:
294.92

HBA:
16

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4797905

Name:
6''-O-(4-(1,1'-biphenyl))kanamycin A

Mol. Formula:
C30H44N4O11

M.W.:
636.70

Type:
Unknown

AlogP:
-3.54

Polar Surface Area:
271.61

HBA:
15

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4796490

Name:
6''-O-(4-nitrophenyl)kanamycin A

Mol. Formula:
C24H39N5O13

M.W.:
605.60

Type:
Unknown

AlogP:
-5.30

Polar Surface Area:
314.75

HBA:
17

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4794592

Name:
6'-N-(6-hydroxy-2-naphthoyl)kanamycin A

Mol. Formula:
C29H42N4O13

M.W.:
654.67

Type:
Unknown

AlogP:
-4.96

Polar Surface Area:
305.92

HBA:
16

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4792505

Name:
N-(((2R,3S,4S,5R)-6-((1R,2R,3S,4R,6S)-4,6-diamino-3-((2S,3R,4S,5S,6R)-4-amiShow More⌵

Mol. Formula:
C28H54N4O12

M.W.:
638.76

Type:
Unknown

AlogP:
-3.99

Polar Surface Area:
285.69

HBA:
15

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4789926

Name:
6''-O-phenylkanamycin A

Mol. Formula:
C24H40N4O11

M.W.:
560.60

Type:
Unknown

AlogP:
-5.20

Polar Surface Area:
271.61

HBA:
15

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4789464

Name:
N-(((2R,3S,4S,5R)-6-((1R,2R,3S,4R,6S)-4,6-diamino-3-((2S,3R,4S,5S,6R)-4-amiShow More⌵

Mol. Formula:
C26H50N4O12

M.W.:
610.70

Type:
Unknown

AlogP:
-4.77

Polar Surface Area:
285.69

HBA:
15

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4789217

Name:
N-(((2R,3S,4S,5R)-6-((1R,2R,3S,4R,6S)-4,6-diamino-3-((2S,3R,4S,5S,6R)-4-amiShow More⌵

Mol. Formula:
C34H45N5O12

M.W.:
715.76

Type:
Unknown

AlogP:
-3.60

Polar Surface Area:
298.58

HBA:
16

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4777707

Name:
N-(((2R,3S,4S,5R)-6-((1R,2R,3S,4R,6S)-4,6-diamino-3-((2S,3R,4S,5S,6R)-4-amiShow More⌵

Mol. Formula:
C25H48N4O12

M.W.:
596.67

Type:
Unknown

AlogP:
-5.16

Polar Surface Area:
285.69

HBA:
15

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4595922

Name:
N-(((2R,3S,4S,5R,6R)-4-amino-6-((1S,2R,3R,4S,6R)-4,6-diamino-3-((3R,4S,5S,6Show More⌵

Mol. Formula:
C38H47N5O14

M.W.:
797.82

Type:
Unknown

AlogP:
-3.27

Polar Surface Area:
341.92

HBA:
18

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4595113

Name:
((2R,3S,4S,5R,6S)-4-amino-6-((1S,2R,3R,4S,6R)-4,6-diamino-3-((3R,4S,5S,6R)-Show More⌵

Mol. Formula:
C25H42N4O13S

M.W.:
638.69

Type:
Unknown

AlogP:
-5.57

Polar Surface Area:
305.75

HBA:
17

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4215327

Name:
(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3R,Show More⌵

Mol. Formula:
C34H68N4O11

M.W.:
708.93

Type:
Small molecule

AlogP:
-0.52

Polar Surface Area:
260.61

HBA:
15

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4214786

Name:
(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3R,Show More⌵

Mol. Formula:
C36H72N4O11

M.W.:
736.99

Type:
Small molecule

AlogP:
0.26

Polar Surface Area:
260.61

HBA:
15

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4210911

Name:
(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3R,Show More⌵

Mol. Formula:
C30H60N4O11

M.W.:
652.83

Type:
Small molecule

AlogP:
-2.08

Polar Surface Area:
260.61

HBA:
15

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4210382

Name:
(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3R,Show More⌵

Mol. Formula:
C24H48N4O11

M.W.:
568.67

Type:
Small molecule

AlogP:
-4.69

Polar Surface Area:
271.61

HBA:
15

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4206024

Name:
(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3R,Show More⌵

Mol. Formula:
C26H52N4O11

M.W.:
596.72