Compounds

ALA3752434

Name:
(1R,2R)-2-((2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-(acetamidomethyl)-8,16-dihydrShow More⌵

Mol. Formula:
C30H50N2O6

M.W.:
534.74

11 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
138.95

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3754066

Name:
(1R,2R)-2-((2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,Show More⌵

Mol. Formula:
C28H44N2O5

M.W.:
488.67

12 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
133.64

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2316968

Name:
(2S,3R)-N-(((E)-3-(6-Aminopyrimidin-4-yl)styryl)sulfonyl)-2,3-dihydroxybutaShow More⌵

Mol. Formula:
C16H18N4O5S

M.W.:
378.41

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.12

Polar Surface Area:
155.50

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2316967

Name:
(2S,3R)-2-Amino-N-(((E)-3-(6-aminopyrimidin-4-yl)styryl)-sulfonyl)-3-hydroxShow More⌵

Mol. Formula:
C18H23N5O4S

M.W.:
405.48

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.49

Polar Surface Area:
161.29

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2316966

Name:
(2S,3R)-2-Amino-N-(((E)-3-(6-aminopyrimidin-4-yl)styryl)-sulfonyl)-3-hydroxShow More⌵

Mol. Formula:
C17H21N5O4S

M.W.:
391.45

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.24

Polar Surface Area:
161.29

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2316965

Name:
(2S,3R)-2-Amino-3-hydroxy-N-methyl-N-((3-(1-oxoisoindolin-5-yl)phenyl)sulfoShow More⌵

Mol. Formula:
C19H21N3O5S

M.W.:
403.46

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.45

Polar Surface Area:
129.80

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2316964

Name:
3-(4-amino-2-chloroquinazolin-7-yl)-N-((2R,3R)-2-amino-3-hydroxybutyl)benzeShow More⌵

Mol. Formula:
C18H20ClN5O3S

M.W.:
421.91

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
144.22

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2316963

Name:
(2S,3R)-2-Amino-N'-(3-(4-amino-2-chloroquinazolin-7-yl)-phenyl)-3-hydroxybuShow More⌵

Mol. Formula:
C18H19ClN6O2

M.W.:
386.84

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
139.18

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2316962

Name:
(2S,3R)-2-Amino-N-(3-(4-amino-2-chloroquinazolin-7-yl)-benzyl)-3-hydroxybutShow More⌵

Mol. Formula:
C19H20ClN5O2

M.W.:
385.86

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
127.15

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2311916

Name:
(2S,3R)-2,3-Diamino-N-(((E)-3-(6-aminopyrimidin-4-yl)-styryl)sulfonyl)butanShow More⌵

Mol. Formula:
C16H20N6O3S

M.W.:
376.44

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.18

Polar Surface Area:
167.08

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1163068

Name:
((S)-2-Amino-3-hydroxy-butyryl)-sulfamic acid (2R,3S,4R,5R)-5-(6-amino-puriShow More⌵

Mol. Formula:
C14H21N7O8S

M.W.:
447.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-3.89

Polar Surface Area:
238.03

HBA:
14

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1160243

Name:
Phosphoric acid (2R,3R)-2-amino-3-hydroxy-butyl ester (2R,3S,4R,5R)-5-(6-amShow More⌵

Mol. Formula:
C14H23N6O8P

M.W.:
434.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.13

Polar Surface Area:
221.32

HBA:
13

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS