Compounds

ALA5208408

Name:
(S)-N-((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-4-hydroxy-7-methyl-1,6-dioxaspiroShow More⌵

Mol. Formula:
C29H46N2O6

M.W.:
518.70

3 activity values

3 unique targets

Type:
---

AlogP:
3.20

Polar Surface Area:
109.42

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5206472

Name:
Methyl 2-((3R,5S,7R,8R)-8-hydroxy-7-((5-((2S,3S,5R,6R)-5-((S)-4-isobutyramiShow More⌵

Mol. Formula:
C31H48N2O8

M.W.:
576.73

3 activity values

3 unique targets

Type:
---

AlogP:
2.74

Polar Surface Area:
135.72

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5206108

Name:
(S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-7-(2-((tert-butoxycarbonyl)aminoShow More⌵

Mol. Formula:
C33H52N2O9

M.W.:
620.78

3 activity values

3 unique targets

Type:
---

AlogP:
3.89

Polar Surface Area:
144.95

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5201280

Name:
(S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7S)-4-hydroxy-7-methoxy-1,6-dioxaspiShow More⌵

Mol. Formula:
C31H48N2O8

M.W.:
576.73

3 activity values

3 unique targets

Type:
---

AlogP:
3.64

Polar Surface Area:
119.09

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5200776

Name:
N-acetyl-calicheamicin

Mol. Formula:
C56H74IN3O22S4

M.W.:
1396.38

3 activity values

3 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5200172

Name:
(S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4S,5R,7S)-4-hydroxy-7-methoxy-6-oxa-1-azasShow More⌵

Mol. Formula:
C27H42N2O7

M.W.:
506.64

3 activity values

3 unique targets

Type:
---

AlogP:
2.15

Polar Surface Area:
125.26

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5199708

Name:
(S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7S)-7-(2-cyclopropoxy-2-oxoethyl)-4-Show More⌵

Mol. Formula:
C33H49NO9

M.W.:
603.75

3 activity values

3 unique targets

Type:
---

AlogP:
3.70

Polar Surface Area:
132.92

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5198941

Name:
3-(2-((3R,5S,7R,8R)-8-hydroxy-7-((5-((2S,3S,5R,6R)-5-((S)-4-(isobutyryloxy)Show More⌵

Mol. Formula:
C33H50N2O10

M.W.:
634.77

3 activity values

3 unique targets

Type:
---

AlogP:
2.59

Polar Surface Area:
173.02

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5198044

Name:
Tert-butyl 2-((3R,5S,7R,8R)-7-((5-((2S,3S,5R,6R)-5-((S)-4-acetoxypent-2-enaShow More⌵

Mol. Formula:
C32H49NO9

M.W.:
591.74

3 activity values

3 unique targets

Type:
---

AlogP:
3.70

Polar Surface Area:
132.92

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5196008

Name:
(S)-5-(((2R,3R,5S,6S)-6-((5-((2R,3R,4S,6S)-6-(2-(tert-butoxy)-2-oxoethyl)-4Show More⌵

Mol. Formula:
C34H54ClNO9

M.W.:
656.26

3 activity values

3 unique targets

Type:
---

AlogP:
4.54

Polar Surface Area:
140.62

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5194640

Name:
(S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-7-(2-cyanoethyl)-4-hydroxy-1,6-dShow More⌵

Mol. Formula:
C29H42N2O7

M.W.:
530.66

3 activity values

3 unique targets

Type:
---

AlogP:
3.28

Polar Surface Area:
130.41

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5193826

Name:
(S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7S)-7-(2-(tert-butoxy)-2-oxoethyl)-4Show More⌵

Mol. Formula:
C34H53NO9

M.W.:
619.80

3 activity values

3 unique targets

Type:
---

AlogP:
4.34

Polar Surface Area:
132.92

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5193399

Name:
(S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7S)-7-methoxy-4-((methylcarbamoyl)oxShow More⌵

Mol. Formula:
C29H44N2O9

M.W.:
564.68

3 activity values

3 unique targets

Type:
---

AlogP:
2.94

Polar Surface Area:
133.95

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5192239

Name:
(S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-4-hydroxy-7-(2-hydroxyethyl)-1,6Show More⌵

Mol. Formula:
C28H43NO8

M.W.:
521.65

3 activity values

3 unique targets

Type:
---

AlogP:
2.35

Polar Surface Area:
126.85

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5192042

Name:
(S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-4-hydroxy-7-methyl-1,6-dioxaspirShow More⌵

Mol. Formula:
C27H41NO7

M.W.:
491.63

3 activity values

3 unique targets

Type:
---

AlogP:
2.99

Polar Surface Area:
106.62

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5191718

Name:
N-((S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-4-hydroxy-7-methyl-1,6-dioxasShow More⌵

Mol. Formula:
C31H49N3O6

M.W.:
559.75

3 activity values

3 unique targets

Type:
---

AlogP:
3.62

Polar Surface Area:
112.66

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5189338

Name:
(S)-4-(3,3-dimethylureido)-N-((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-4-hydroxy-Show More⌵

Mol. Formula:
C28H45N3O6

M.W.:
519.68

3 activity values

3 unique targets

Type:
---

AlogP:
2.70

Polar Surface Area:
112.66

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5186863

Name:
(S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-4-hydroxy-7-(2-hydroxy-2-methylpShow More⌵

Mol. Formula:
C30H47NO8

M.W.:
549.71

3 activity values

3 unique targets

Type:
---

AlogP:
3.13

Polar Surface Area:
126.85

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5185652

Name:
Tert-butyl 2-((2S,4S,5R,6R)-6-((5-((2S,3S,5R,6R)-5-((S)-4-acetoxypent-2-enaShow More⌵

Mol. Formula:
C32H50ClNO9

M.W.:
628.20

3 activity values

3 unique targets

Type:
---

AlogP:
3.91

Polar Surface Area:
140.62

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5185510

Name:
1-(tert-butyl)4-((S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-4-hydroxy-7-metShow More⌵

Mol. Formula:
C35H55N3O9

M.W.:
661.84

3 activity values

3 unique targets

Type:
---

AlogP:
4.12

Polar Surface Area:
139.40

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS