Compounds

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ALA2203870
Name:
azepinomycin
Mol. Formula:
C6H8N4O2
M.W.:
168.16
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
-1.12
Polar Surface Area:
90.04
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA1645489
Name:
3-benzyl-4,5,7,8-tetrahydro-6-hydroxymethyl-6-[(benzyloxycarbonyl)amino]imiShow More⌵
Mol. Formula:
C22H21N5O5
M.W.:
435.44
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.23
Polar Surface Area:
134.58
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
2-Acetamido-6-hydroxypurine
Name:
N-2-Acetylguanine
Mol. Formula:
C7H7N5O2
M.W.:
193.17
5 activity values
4 unique targets
Type:
Small molecule
AlogP:
-0.40
Polar Surface Area:
103.53
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA220699
Name:
4,5,7,8-tetrahydro-6-hydroxymethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dionShow More⌵
Mol. Formula:
C7H8N4O3
M.W.:
196.17
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
-1.55
Polar Surface Area:
107.11
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA374469
Name:
3-benzyl-4,5,7,8-tetrahydro-6-hydroxymethyl-6H-imidazo[4,5-e][1,4]diazepineShow More⌵
Mol. Formula:
C14H14N4O3
M.W.:
286.29
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.03
Polar Surface Area:
96.25
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA120006
Name:
3-Benzyl-3H-imidazo[4,5-e][1,4]diazepine-6,8-dione
Mol. Formula:
C13H10N4O2
M.W.:
254.25
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
0.53
Polar Surface Area:
80.64
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE