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ALA4217179 Name:
Palmarumycin B6; 6-Chloro-5-hydroxy-2,3-dihydro-4H
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Mol. Formula:
C20H13ClO4
M.W.:
352.77
Type:
Small molecule
AlogP:
4.80
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA496641 Name:
(+/-)-5-(1,2-diacetoxyethyl)-2-(E)-hept-5-ene-1,3-
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Mol. Formula:
C17H16O4S
M.W.:
316.38
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
52.60
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA488490 Name:
(+/-)-5-(1,2-dihydroxyethyl)-2-(E)-hept-5-ene-1,3-
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Mol. Formula:
C13H12O2S
M.W.:
232.30
Type:
Small molecule
AlogP:
1.70
Polar Surface Area:
40.46
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.76
DETAILS
CLOSE
ALA500347 Name:
5-hydroxymethyl-2-(E)-hept-5-ene-1,3-diynylthiophe
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Mol. Formula:
C12H10OS
M.W.:
202.28
Type:
Small molecule
AlogP:
2.17
Polar Surface Area:
20.23
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.69
DETAILS
CLOSE
ALA496243 Name:
(+/-)-1,2-bis[5-(E)-hept-5-ene-1,3-diynylthiophen-
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Mol. Formula:
C27H20O3S2
M.W.:
456.59
Type:
Small molecule
AlogP:
4.72
Polar Surface Area:
54.37
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA498465 Name:
(+/-)-5-(2-chloro-1-hydroxyethyl)-2-(E)-hept-5-ene
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Mol. Formula:
C13H11ClOS
M.W.:
250.75
Type:
Small molecule
AlogP:
2.95
Polar Surface Area:
20.23
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.63
DETAILS
CLOSE
ALA453761 Name:
2-(E)-hept-5-ene-1,3-diynylthiophene
Mol. Formula:
C11H8S
M.W.:
172.25
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
0.00
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.53
DETAILS
CLOSE
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