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ALA1096242 Name:
4-(1-aziranylcarbonyloxy)-1,9-dihydroxy-15-(1-hydroxy-2-phenyl-2-phenylcarbShow More⌵
Mol. Formula:
C48H52N2O14
M.W.:
880.94
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
224.30
HBA:
14
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA216691 Name:
1-hydroxy-15-(1-hydroxy-2-phenyl-2-phenylcarboxamidoethylcarbonyloxy)-10,14Show More⌵
Mol. Formula:
C62H70Cl2N2O16
M.W.:
1170.15
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA354586 Name:
8-fluoro-1,9-dihydroxy-10,14,17,17-tetramethyl-4,12-di(methylcarbonyloxy)-1Show More⌵
Mol. Formula:
C47H50FNO14
M.W.:
871.91
Type:
Small molecule
AlogP:
3.68
Polar Surface Area:
221.29
HBA:
14
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA352387 Name:
docetaxel analogue
Mol. Formula:
C44H55NO14
M.W.:
821.92
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
224.45
HBA:
14
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA167416 Name:
paclitaxel analogue
Mol. Formula:
C45H54FNO15
M.W.:
867.92
Type:
Small molecule
AlogP:
3.78
Polar Surface Area:
230.52
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA354100 Name:
paclitaxel analogue
Mol. Formula:
C45H55NO15
M.W.:
849.93
Type:
Small molecule
AlogP:
3.83
Polar Surface Area:
230.52
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA216539 Name:
(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-9-({[bis({2-[(4-{4-[bis(2-Show More⌵
Mol. Formula:
C81H96Cl4N4O20
M.W.:
1587.48
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA424730 Name:
(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-9-[({bis[2-(acetyloxy)ethyShow More⌵
Mol. Formula:
C57H66N2O20
M.W.:
1099.15
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA354136 Name:
docetaxel analogue
Mol. Formula:
C45H55NO14
M.W.:
833.93
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
224.45
HBA:
14
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA348855 Name:
docetaxel analogue
Mol. Formula:
C45H55NO15
M.W.:
849.93
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
241.52
HBA:
15
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA166171 Name:
docetaxel analogue
Mol. Formula:
C50H57NO15
M.W.:
912.00
Type:
Small molecule
AlogP:
4.49
Polar Surface Area:
241.52
HBA:
15
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA353611 Name:
docetaxel analogue
Mol. Formula:
C45H53NO14
M.W.:
831.91
Type:
Small molecule
AlogP:
3.24
Polar Surface Area:
224.45
HBA:
14
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA414574 Name:
1-hydroxy-15-(1-hydroxy-2-phenyl-2-phenylcarboxamidoethylcarbonyloxy)-10,14Show More⌵
Mol. Formula:
C61H68Cl2N2O15
M.W.:
1140.12
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA436054 Name:
8-bromo-1,9-dihydroxy-10,14,17,17-tetramethyl-4,12-di(methylcarbonyloxy)-11Show More⌵
Mol. Formula:
C47H50BrNO14
M.W.:
932.81
Type:
Small molecule
AlogP:
4.11
Polar Surface Area:
221.29
HBA:
14
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA352336 Name:
docetaxel analogue
Mol. Formula:
C44H53NO15
M.W.:
835.90
Type:
Small molecule
AlogP:
3.07
Polar Surface Area:
241.52
HBA:
15
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA352335 Name:
docetaxel analogue
Mol. Formula:
C44H55NO15
M.W.:
837.92
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
244.68
HBA:
15
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA355364 Name:
docetaxel analogue
Mol. Formula:
C46H57NO14
M.W.:
847.96
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
224.45
HBA:
14
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA435275 Name:
docetaxel analogue
Mol. Formula:
C49H57NO14
M.W.:
883.99
Type:
Small molecule
AlogP:
4.93
Polar Surface Area:
224.45
HBA:
14
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA446173 Name:
8-chloro-1,9-dihydroxy-10,14,17,17-tetramethyl-4,12-di(methylcarbonyloxy)-1Show More⌵
Mol. Formula:
C47H50ClNO14
M.W.:
888.36
Type:
Small molecule
AlogP:
3.95
Polar Surface Area:
221.29
HBA:
14
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA162908 Name:
3-Hydroxy-4-methoxy-N-(3,4,5-trimethoxy-phenyl)-benzamide
Mol. Formula:
C17H19NO6
M.W.:
333.34
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
86.25
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
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