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ALA4876663 Name:
(R)-4-(3-(4-fluoroisoindolin-2-yl)butyl)-2-methoxy
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Mol. Formula:
C19H22FNO2
M.W.:
315.39
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
32.70
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA4870888 Name:
methyl 2-(4-((1E,6E)-7-(4-hydroxy-3-methoxyphenyl)
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Mol. Formula:
C24H21F3O7
M.W.:
478.42
Type:
Unknown
AlogP:
4.23
Polar Surface Area:
99.13
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4869437 Name:
(S)-4-(3,4-dichlorophenyl)-N-(4-(trifluoromethyl)b
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Mol. Formula:
C18H18Cl2F3N
M.W.:
376.25
Type:
Unknown
AlogP:
6.12
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5285477 Name:
8-epi-malyngamide C
Mol. Formula:
C25H40ClNO5
M.W.:
470.05
Type:
---
AlogP:
4.58
Polar Surface Area:
88.16
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5285116 Name:
2-(2-(4-sec-butoxy-2-(4-(carboxymethoxy)-2-(methox
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Mol. Formula:
C53H46N8O15
M.W.:
1034.99
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5282893 Name:
5-(5-(6-(benzyloxy)-5-(6-isobutoxy-5-nitropicolina
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Mol. Formula:
C39H34N8O15
M.W.:
854.74
Type:
---
AlogP:
4.17
Polar Surface Area:
330.82
HBA:
16
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5282325 Name:
Malyngamide K
Mol. Formula:
C25H40ClNO3
M.W.:
438.05
Type:
---
AlogP:
6.40
Polar Surface Area:
55.40
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5278674 Name:
Apratoxin A
Mol. Formula:
C45H69N5O8S
M.W.:
840.14
Type:
---
AlogP:
5.28
Polar Surface Area:
158.15
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5278360 Name:
Jamaicamide C
Mol. Formula:
C27H39ClN2O4
M.W.:
491.07
Type:
---
AlogP:
5.57
Polar Surface Area:
75.71
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4867297 Name:
4-(3-(4-fluoroisoindolin-2-yl)-3-methylbutyl)-2-is
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Mol. Formula:
C22H28FNO2
M.W.:
357.47
Type:
Unknown
AlogP:
5.05
Polar Surface Area:
32.70
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4865307 Name:
2-methoxy-4-(3-(4-(trifluoromethyl)benzylamino)but
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Mol. Formula:
C19H22F3NO2
M.W.:
353.38
Type:
Unknown
AlogP:
4.53
Polar Surface Area:
41.49
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4863873 Name:
(R)-4-(4-chlorophenyl)-N-(4-(trifluoromethyl)benzy
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Mol. Formula:
C18H19ClF3N
M.W.:
341.80
Type:
Unknown
AlogP:
5.47
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5289416 Name:
6-0-acetylmalyngamide F
Mol. Formula:
C27H42ClNO5
M.W.:
496.09
Type:
---
AlogP:
5.94
Polar Surface Area:
81.70
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4861528 Name:
tert-butyl 2-(4-((1E,6E)-7-(4-hydroxy-3-methoxyphe
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Mol. Formula:
C27H27F3O7
M.W.:
520.50
Type:
Unknown
AlogP:
5.40
Polar Surface Area:
99.13
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4848550 Name:
(R)-4-(3,4-dichlorophenyl)-N-(4-(trifluoromethyl)b
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Mol. Formula:
C18H18Cl2F3N
M.W.:
376.25
Type:
Unknown
AlogP:
6.12
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
66.84
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4757042 Name:
Trichophycin C
Mol. Formula:
C22H32Cl2O2
M.W.:
399.40
Type:
Unknown
AlogP:
6.05
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4756843 Name:
(2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-(5,8-dihydrox
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Mol. Formula:
C27H30O14S
M.W.:
610.59
Type:
Unknown
AlogP:
1.77
Polar Surface Area:
198.26
HBA:
15
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4756001 Name:
(2S,3R,4R,4aS,12aR)-3,4,7,10-tetrahydroxy-2-(hydro
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Mol. Formula:
C18H18O9S
M.W.:
410.40
Type:
Unknown
AlogP:
-0.12
Polar Surface Area:
153.75
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5275834 Name:
8-O-acetyl-8-epi-malyngamide C
Mol. Formula:
C27H42ClNO6
M.W.:
512.09
Type:
---
AlogP:
5.15
Polar Surface Area:
94.23
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
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