Compounds

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ALA3764354
Name:
4-(4-((3-(4-(3-(4-methylpiperazin-1-yl)propoxy)phenyl)-4-oxo-2-thioxothiazoShow More⌵
Mol. Formula:
C31H30N4O3S2
M.W.:
570.74
6 activity values
4 unique targets
Type:
Small molecule
AlogP:
5.77
Polar Surface Area:
69.04
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.18
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ALA3764641
Name:
N,N-dimethyl-4-(4-((3-(4-(3-(4-methylpiperazin-1-yl)propoxy)phenyl)-4-oxo-2Show More⌵
Mol. Formula:
C33H36N4O4S2
M.W.:
616.81
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.60
Polar Surface Area:
65.56
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.17
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ALA2205125
Name:
N-(tert-butyl)-N-(2-(tert-butylamino)-1-(4'-methoxy-[1,1'-biphenyl]-4-yl)-2Show More⌵
Mol. Formula:
C32H40N2O5
M.W.:
532.68
6 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.99
Polar Surface Area:
99.10
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
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ALA2205124
Name:
N-(2-(tert-butylamino)-1-(4'-methoxy-[1,1'-biphenyl]-4-yl)-2-oxoethyl)-4-meShow More⌵
Mol. Formula:
C33H35N3O4
M.W.:
537.66
6 activity values
2 unique targets
Type:
Small molecule
AlogP:
6.06
Polar Surface Area:
80.76
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
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ALA2205123
Name:
6-(1-(2-benzo[d][1,3]dioxol-5-yl)-N-cycloproylacetamido-2-(benzylamino)-2-oShow More⌵
Mol. Formula:
C41H39N3O8
M.W.:
701.78
28 activity values
7 unique targets
Type:
Small molecule
AlogP:
5.55
Polar Surface Area:
131.55
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.07
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ALA2205121
Name:
1-(6-(1-(2-(benzo[d][1,3]dioxol-5-yl)-N-cyclopropylacetamido)-2-(benzylaminShow More⌵
Mol. Formula:
C44H45N3O10
M.W.:
775.85
11 activity values
4 unique targets
Type:
Small molecule
AlogP:
6.40
Polar Surface Area:
157.85
HBA:
10
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
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