Compounds

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ALA4465918
Name:
1,5-bis((S)-1-(chloromethyl)-5-hydroxy-1H-benzo[e]indol-3(2H)-yl)pentane-1,Show More⌵
Mol. Formula:
C31H28Cl2N2O4
M.W.:
563.48
33 activity values
13 unique targets
Type:
Unknown
AlogP:
6.61
Polar Surface Area:
81.08
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA1235132
Name:
5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-2-pyridinecarboxamide
Mol. Formula:
C21H27N7O14P2
M.W.:
663.43
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
-2.37
Polar Surface Area:
327.27
HBA:
18
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
β-Nicotinamide adenine dinucleotide hydrate
Name:
Nicotinamide adinine dinucleotide (NAD)
Mol. Formula:
C21H27N7O14P2
M.W.:
663.43
24 activity values
17 unique targets
Type:
Small molecule
AlogP:
-3.65
Polar Surface Area:
321.09
HBA:
18
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA1231859
Name:
5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-5-pyridinecarboxamide
Mol. Formula:
C21H27N7O14P2
M.W.:
663.43
7 activity values
4 unique targets
Type:
Small molecule
AlogP:
-2.37
Polar Surface Area:
327.27
HBA:
18
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA1161866
Name:
nicotinamide adenine dinucleotide
Mol. Formula:
C21H29N7O14P2
M.W.:
665.45
8 activity values
6 unique targets
Type:
Small molecule
AlogP:
-2.69
Polar Surface Area:
317.62
HBA:
18
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE