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ALA4875156 Name:
benzyl (2R)-6,8-dioxo-1,2,3,4,6,7,8,8a-octahydrona
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Mol. Formula:
C18H19NO4
M.W.:
313.35
Type:
Unknown
AlogP:
2.55
Polar Surface Area:
72.47
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4874833 Name:
(1R)-1-isopropyl-3,3a-dihydro-1H-indene-4,6(2H,5H)
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Mol. Formula:
C12H16O2
M.W.:
192.26
Type:
Unknown
AlogP:
2.14
Polar Surface Area:
34.14
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.60
DETAILS
CLOSE
ALA4863840 Name:
(7R)-7-((1r,4S)-4-propylcyclohexyl)-6,7,8,8a-tetra
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Mol. Formula:
C19H28O2
M.W.:
288.43
Type:
Unknown
AlogP:
4.48
Polar Surface Area:
34.14
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4858342 Name:
(Z)-2,3,4,4a,6,7-hexahydro-1H-benzo[7]annulene-5,8
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Mol. Formula:
C11H14O2
M.W.:
178.23
Type:
Unknown
AlogP:
2.04
Polar Surface Area:
34.14
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.57
DETAILS
CLOSE
ALA4857883 Name:
(1S)-ethyl 5,7-dioxo-1,2,3,4,4a,5,6,7-octahydronap
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Mol. Formula:
C13H16O4
M.W.:
236.27
Type:
Unknown
AlogP:
1.43
Polar Surface Area:
60.44
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4849737 Name:
(2S,Z)-2-methyl-2,3,4,4a,6,7-hexahydro-1H-benzo[7]
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Mol. Formula:
C12H16O2
M.W.:
192.26
Type:
Unknown
AlogP:
2.28
Polar Surface Area:
34.14
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.59
DETAILS
CLOSE
ALA4862882 Name:
(1S)-1-chloro-3,3a-dihydro-1H-indene-4,6(2H,5H)-di
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Mol. Formula:
C9H9ClO2
M.W.:
184.62
Type:
Unknown
AlogP:
1.47
Polar Surface Area:
34.14
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.42
DETAILS
CLOSE
ALA4862756 Name:
(1R,Z)-1-isopropyl-1,2,3,3a,5,6-hexahydroazulene-4
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Mol. Formula:
C13H18O2
M.W.:
206.28
Type:
Unknown
AlogP:
2.53
Polar Surface Area:
34.14
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.66
DETAILS
CLOSE
ALA5208041 Name:
2-(5-(5-chloro-2-hydroxybenzoyl)pyrimidin-2-yl)-1-
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Mol. Formula:
C18H13ClFN5O2
M.W.:
385.79
Type:
---
AlogP:
3.26
Polar Surface Area:
113.49
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5198865 Name:
4,4'-(((2S,3R,4R,5S,6R)-3-((8Z,11Z)-heptadeca-8,11
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Mol. Formula:
C48H77NO13
M.W.:
876.14
Type:
---
AlogP:
9.13
Polar Surface Area:
212.06
HBA:
11
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
37
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA5193233 Name:
N-((2S,3R,4R,5S,6R)-5-(((2S,3R,4R,5S,6R)-3-acetami
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Mol. Formula:
C54H90N6O31
M.W.:
1319.33
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5193111 Name:
4,4'-(((2S,3R,4R,5S,6R)-3-(heptadec-8-enamido)-4-(
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Mol. Formula:
C48H81NO13
M.W.:
880.17
Type:
---
AlogP:
9.58
Polar Surface Area:
212.06
HBA:
11
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
39
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA5191555 Name:
4,4'-(((2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3-tetrad
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Mol. Formula:
C42H73NO13
M.W.:
800.04
Type:
---
AlogP:
7.69
Polar Surface Area:
212.06
HBA:
11
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
35
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA5190499 Name:
(4bR,8aR,9R)-11-(4-(isopropylamino)phenyl)-6,7,8,8
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Mol. Formula:
C25H32N2O
M.W.:
376.54
Type:
---
AlogP:
5.48
Polar Surface Area:
35.50
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5184274 Name:
4,4'-(((2S,3R,4R,5S,6R)-3-(heptadeca-8,11-dienamid
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Mol. Formula:
C45H75NO13
M.W.:
838.09
Type:
---
AlogP:
8.41
Polar Surface Area:
212.06
HBA:
11
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
36
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA5183121 Name:
methyl 1-(N-acryloyl-N-(2-chloro-4-fluorophenyl)su
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Mol. Formula:
C16H18ClFN2O5S
M.W.:
404.85
Type:
---
AlogP:
2.27
Polar Surface Area:
83.99
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5183013 Name:
4,4'-(((2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(octad
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Mol. Formula:
C46H79NO13
M.W.:
854.13
Type:
---
AlogP:
9.02
Polar Surface Area:
212.06
HBA:
11
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
38
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA5179453 Name:
2-(5-(2-hydroxybenzoyl)pyrimidin-2-yl)-1-(4-methox
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Mol. Formula:
C19H17N5O3
M.W.:
363.38
Type:
---
AlogP:
2.48
Polar Surface Area:
122.72
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5175448 Name:
1-(4-fluorophenyl)-2-(5-(2-hydroxy-4-methoxybenzoy
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Mol. Formula:
C19H16FN5O3
M.W.:
381.37
Type:
---
AlogP:
2.62
Polar Surface Area:
122.72
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
Type:
---
AlogP:
0.02
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
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