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ALA1159468 Name:
2-[6,7,8,11,12,22,23-heptahydroxy-3,16-dioxo-21-(3
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Mol. Formula:
C34H26O23
M.W.:
802.56
Type:
Small molecule
AlogP:
0.61
Polar Surface Area:
397.65
HBA:
22
HBD:
14
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA1159467 Name:
Tannin
Mol. Formula:
C48H32O32
M.W.:
1120.75
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1159466 Name:
1,2,2,14,15,16,19,20,21,35,36-undecahydroxy-3,6,11
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Mol. Formula:
C41H28O27
M.W.:
952.65
Type:
Small molecule
AlogP:
-1.10
Polar Surface Area:
450.25
HBA:
27
HBD:
14
#RO5 Violations:
3
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA1159463 Name:
5-hydroxy-2,3,4-tri(3,4,5-trihydroxyphenylcarbonyl
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Mol. Formula:
C34H28O22
M.W.:
788.58
Type:
Small molecule
AlogP:
0.70
Polar Surface Area:
377.42
HBA:
22
HBD:
13
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA1159462 Name:
4,5-dihydroxy-3,6-di(3,4,5-trihydroxyphenylcarbony
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Mol. Formula:
C27H24O18
M.W.:
636.47
Type:
Small molecule
AlogP:
-0.28
Polar Surface Area:
310.66
HBA:
18
HBD:
11
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA1159461 Name:
7,7,8,12,13,22-hexahydroxy-21-hydroxymethyl-3,6,16
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Mol. Formula:
C27H22O19
M.W.:
650.45
Type:
Small molecule
AlogP:
-3.04
Polar Surface Area:
316.73
HBA:
19
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA1159460 Name:
6,7,11,12,12-pentahydroxy-3,13,16-trioxo-21,22-di(
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Mol. Formula:
C41H30O27
M.W.:
954.66
Type:
Small molecule
AlogP:
-1.08
Polar Surface Area:
450.25
HBA:
27
HBD:
14
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA1159459 Name:
2-[13,17,18-trihydroxy-2,10,14-trioxo-5,21-di(3,4,
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Mol. Formula:
C41H32O27
M.W.:
956.68
Type:
Small molecule
AlogP:
0.02
Polar Surface Area:
447.09
HBA:
26
HBD:
13
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA4558004 Name:
Stelleramacrin
Mol. Formula:
C37H50O11
M.W.:
670.80
Type:
Unknown
AlogP:
2.46
Polar Surface Area:
167.67
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4537465 Name:
5,20,2'-Triacetoxygnidimacrin
Mol. Formula:
C50H60O15
M.W.:
901.01
Type:
Unknown
AlogP:
6.04
Polar Surface Area:
191.95
HBA:
15
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4533733 Name:
3-O-(trans-Cinnamoyl)Stelleramacrin
Mol. Formula:
C46H56O12
M.W.:
800.94
Type:
Unknown
AlogP:
4.73
Polar Surface Area:
173.74
HBA:
12
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4528495 Name:
3-O-(2-Naphthoyl)Stelleramacrin
Mol. Formula:
C48H56O12
M.W.:
824.96
Type:
Unknown
AlogP:
5.48
Polar Surface Area:
173.74
HBA:
12
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4475196 Name:
2'-O-(4-Nitrobenzoyl)gnidimacrin
Mol. Formula:
C51H57NO15
M.W.:
924.01
Type:
Unknown
AlogP:
6.10
Polar Surface Area:
222.95
HBA:
15
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA4587471 Name:
3-O-(4-Pyridinylcarbonyl)Stelleramacrin
Mol. Formula:
C43H53NO12
M.W.:
775.89
Type:
Unknown
AlogP:
3.72
Polar Surface Area:
186.63
HBA:
13
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4586553 Name:
20-(2,2-Dimethylsuccinoxy)Gnidimacrin
Mol. Formula:
C50H62O15
M.W.:
903.03
Type:
Unknown
AlogP:
5.38
Polar Surface Area:
217.11
HBA:
14
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4580556 Name:
2'-O-(2-Naphthoyl)gnidimacrin
Mol. Formula:
C55H60O13
M.W.:
929.07
Type:
Unknown
AlogP:
7.34
Polar Surface Area:
179.81
HBA:
13
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4578026 Name:
2'-O-Benzoylgnidimacrin
Mol. Formula:
C51H58O13
M.W.:
879.01
Type:
Unknown
AlogP:
6.19
Polar Surface Area:
179.81
HBA:
13
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4575056 Name:
2'-Oxognidimacrin
Mol. Formula:
C44H52O12
M.W.:
772.89
Type:
Unknown
AlogP:
4.54
Polar Surface Area:
170.58
HBA:
12
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4460901 Name:
3,18-Debenzoyl Gnidimacrin
Mol. Formula:
C30H46O10
M.W.:
566.69
Type:
Unknown
AlogP:
0.60
Polar Surface Area:
161.60
HBA:
10
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4444766 Name:
5-Oxognidimacrin
Mol. Formula:
C44H52O12
M.W.:
772.89
Type:
Unknown
AlogP:
4.54
Polar Surface Area:
170.58
HBA:
12
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
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