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ALA428183 Name:
DHA-SB-T-1216
Mol. Formula:
C66H90N2O16
M.W.:
1167.44
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA338256 Name:
Derivative of Docetaxel
Mol. Formula:
C48H66N2O15
M.W.:
911.05
Type:
Small molecule
AlogP:
4.92
Polar Surface Area:
242.55
HBA:
15
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA420349 Name:
3'-Dephenyl-3'-(2-methylpropyl)-10-n-propanoyldoce
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Mol. Formula:
C44H61NO15
M.W.:
843.96
Type:
Small molecule
AlogP:
3.89
Polar Surface Area:
230.52
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA435607 Name:
Derivative of Docetaxel
Mol. Formula:
C48H65NO15
M.W.:
896.04
Type:
Small molecule
AlogP:
4.98
Polar Surface Area:
230.52
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA340628 Name:
Derivative of Docetaxel
Mol. Formula:
C45H59NO15
M.W.:
853.96
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
230.52
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA125399 Name:
3'-Dephenyl-10-n-hexanoyl-3'-(2-methyl-2-propenyl)
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Mol. Formula:
C47H65NO15
M.W.:
884.03
Type:
Small molecule
AlogP:
4.98
Polar Surface Area:
230.52
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA338714 Name:
Derivative of Docetaxel
Mol. Formula:
C42H57NO14
M.W.:
799.91
Type:
Small molecule
AlogP:
3.51
Polar Surface Area:
213.45
HBA:
14
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA339370 Name:
3'-Dephenyl-10-(N,N-dimethylcarbamoyl)-3'-(2-methy
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Mol. Formula:
C44H60N2O15
M.W.:
856.96
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
233.76
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA126916 Name:
10-(Cyclopropylcarbonyl)-3'-Dephenyl-3'-(2-methyl-
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Mol. Formula:
C45H59NO15
M.W.:
853.96
Type:
Small molecule
AlogP:
3.81
Polar Surface Area:
230.52
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA126678 Name:
3'-Dephenyl-3'-(2-methyl-2-propenyl)-10-n-propanoy
Show More⌵
Mol. Formula:
C44H59NO15
M.W.:
841.95
Type:
Small molecule
AlogP:
3.81
Polar Surface Area:
230.52
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA339531 Name:
SB-T-1212
Mol. Formula:
C43H57NO15
M.W.:
827.92
Type:
Small molecule
AlogP:
3.42
Polar Surface Area:
230.52
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA339283 Name:
Derivative of Docetaxel
Mol. Formula:
C47H65NO15
M.W.:
884.03
Type:
Small molecule
AlogP:
4.84
Polar Surface Area:
230.52
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA419594 Name:
Derivative of Docetaxel
Mol. Formula:
C46H64N2O15
M.W.:
885.02
Type:
Small molecule
AlogP:
4.34
Polar Surface Area:
233.76
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA129126 Name:
Derivative of Docetaxel
Mol. Formula:
C43H58N2O15
M.W.:
842.94
Type:
Small molecule
AlogP:
3.22
Polar Surface Area:
242.55
HBA:
15
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA340127 Name:
Derivative of Docetaxel
Mol. Formula:
C45H62N2O15
M.W.:
870.99
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
242.55
HBA:
15
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA341465 Name:
Derivative of Docetaxel
Mol. Formula:
C45H60N2O15
M.W.:
868.97
Type:
Small molecule
AlogP:
3.77
Polar Surface Area:
242.55
HBA:
15
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA421653 Name:
Derivative of Docetaxel
Mol. Formula:
C46H62N2O16
M.W.:
899.00
Type:
Small molecule
AlogP:
3.33
Polar Surface Area:
242.99
HBA:
16
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA126932 Name:
10-Acetyl-3'-(2-methylpropyl) docetaxel
Mol. Formula:
C43H59NO15
M.W.:
829.94
Type:
Small molecule
AlogP:
3.50
Polar Surface Area:
230.52
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA340250 Name:
3'-Dephenyl-10-(methoxycarbonyl)-3'-(2-methyl-2-pr
Show More⌵
Mol. Formula:
C43H57NO16
M.W.:
843.92
Type:
Small molecule
AlogP:
3.64
Polar Surface Area:
239.75
HBA:
16
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA339518 Name:
Derivative of Docetaxel
Mol. Formula:
C44H60N2O15
M.W.:
856.96
Type:
Small molecule
AlogP:
3.61
Polar Surface Area:
242.55
HBA:
15
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
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