Compounds

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ALA3526639
Name:
(2S,3S,4S,5R)-6-(1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)ureido)-3,4,5-triShow More⌵
Mol. Formula:
C19H17Cl3N2O7
M.W.:
491.71
7 activity values
4 unique targets
Type:
Small molecule
AlogP:
2.58
Polar Surface Area:
139.56
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3526638
Name:
(2S,3S,4S,5R)-6-(3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ureido)-3,4,5-triShow More⌵
Mol. Formula:
C19H17Cl3N2O7
M.W.:
491.71
7 activity values
4 unique targets
Type:
Small molecule
AlogP:
2.58
Polar Surface Area:
139.56
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1908071
Name:
rac-Isopinocampheol
Mol. Formula:
C10H18O
M.W.:
154.25
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
2.05
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.57
DETAILS
CLOSE
2',7'-Dichlorofluorescein
Name:
Dichlorofluorescein
Mol. Formula:
C20H10Cl2O5
M.W.:
401.20
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
4.97
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
(S)-(-)-β-Citronellol
Name:
S(-)-beta-Citronellol
Mol. Formula:
C10H20O
M.W.:
156.27
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
(R)-(+)-β-Citronellol
Name:
(R)-Citronellol
Mol. Formula:
C10H20O
M.W.:
156.27
23 activity values
5 unique targets
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE