Compounds

ALA2374365

Name:
1-(1-Hydroxy-5-hydroxymethyl-pyrrolidin-3-yl)-5-me
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Cas Number:
121330-14-1

Mol. Formula:
C10H15N3O4

M.W.:
241.25

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
-1.16

Polar Surface Area:
98.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2304376

Name:
Cephalostatin 16

Mol. Formula:
C54H74N2O10

M.W.:
911.19

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.65

Polar Surface Area:
180.92

HBA:
12

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2304375

Name:
Cephalostatin derivative

Mol. Formula:
C54H74N2O10

M.W.:
911.19

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.65

Polar Surface Area:
180.92

HBA:
12

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2303999

Name:
Mitomycin C analogue

Mol. Formula:
C33H40N8O10

M.W.:
708.73

9 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.49

Polar Surface Area:
265.80

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA1793801

Name:
Mitomycin C analogue

Mol. Formula:
C41H56N8O10

M.W.:
820.94

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.63

Polar Surface Area:
265.80

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA2146207

Name:
[Bis(aminomethyl)dimethylsilane]tetrachloroplatinu
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Mol. Formula:
C5H16Cl2N2PtSi

M.W.:
398.27

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2146206

Name:
[Bis(aminomethyl)diethylsilane]dichloroplatinum (I
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Mol. Formula:
C6H18Cl2N2PtSi

M.W.:
412.29

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2146205

Name:
[Bis(aminomethyl)tetramethylenesilane]dichloropalt
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Mol. Formula:
C6H16Cl2N2PtSi

M.W.:
410.28

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2146204

Name:
[Bis(aminomethyl)pentamethylenesilane]tetrachlorop
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Mol. Formula:
C7H18Cl4N2PtSi

M.W.:
495.21

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2146203

Name:
[Bis(aminomethyl)diethylsilane]tetrachloroplatinum
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Mol. Formula:
C6H18Cl4N2PtSi

M.W.:
483.20

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2146202

Name:
[Bis(aminomethyl)pentamethylenesilane]dichloropalt
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Mol. Formula:
C7H18Cl2N2PtSi

M.W.:
424.31

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2146201

Name:
[Bis(aminomethyl)dimethylsilane]dichloroplatinum (
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Mol. Formula:
C4H14Cl2N2PtSi

M.W.:
384.24

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2146192

Name:
[Bis(aminomethyl)ethylmethylsilane]tetrachloroplat
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Mol. Formula:
C5H16Cl4N2PtSi

M.W.:
469.17

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2146191

Name:
cis-Bis[[(trimethylsilyl)methyl]amino]tetrachlorop
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Mol. Formula:
C8H26Cl4N2PtSi2

M.W.:
543.37

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2146190

Name:
[Bis(aminomethyl)dimethylsilane]tetrachloroplatinu
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Mol. Formula:
C4H14Cl4N2PtSi

M.W.:
455.15

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2146189

Name:
[Bis(aminomethyl)tetramethylenesilane]tetrachlorop
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Mol. Formula:
C6H16Cl4N2PtSi

M.W.:
481.18

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2146188

Name:
cis-Bis[[(trimethylsilyl)methyl]amino]dichloroplat
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Mol. Formula:
C8H26Cl2N2PtSi2

M.W.:
472.47

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA553063

Name:
O,N-Bis-(3-amino-propyl)-hydroxylamine; trishydrob
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Mol. Formula:
C6H20Br3N3O

M.W.:
389.96

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.79

Polar Surface Area:
73.30

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA542563

Name:
N-(3-Amino-propoxy)-N-(3-amino-propyl)-2,4,6-trime
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Mol. Formula:
C15H29Cl2N3O3S

M.W.:
402.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
98.65

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA544893

Name:
1-(3,5-Bis-dimethylaminomethyl-4-hydroxy-phenyl)-3
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Mol. Formula:
C36H50Cl4N4O4

M.W.:
744.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.14

Polar Surface Area:
87.56

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.20

DETAILS