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ALA5092812 Name:
(R)-2-(4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2Show More⌵
Mol. Formula:
C28H30N8O2
M.W.:
510.60
Type:
Unknown
AlogP:
4.37
Polar Surface Area:
133.13
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5089076 Name:
(R)-2-(4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2Show More⌵
Mol. Formula:
C30H34N8O3
M.W.:
554.66
Type:
Unknown
AlogP:
4.77
Polar Surface Area:
142.36
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5086559 Name:
(R)-2-(4-((8-cyclopentyl-5,7-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-ylShow More⌵
Mol. Formula:
C29H32N8O3
M.W.:
540.63
Type:
Unknown
AlogP:
4.01
Polar Surface Area:
133.57
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5085883 Name:
(R)-2-(4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2Show More⌵
Mol. Formula:
C30H34N8O3
M.W.:
554.66
Type:
Unknown
AlogP:
4.30
Polar Surface Area:
142.36
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5085356 Name:
(R)-2-(4-(8-cyclopentyl-5,7-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-ylaShow More⌵
Mol. Formula:
C28H30N8O3
M.W.:
526.60
Type:
Unknown
AlogP:
3.98
Polar Surface Area:
142.36
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5083420 Name:
(R)-2-(4-(7-ethyl-5-methyl-8-((5-methylthiophen-2-yl)methyl)-6-oxo-5,6,7,8-Show More⌵
Mol. Formula:
C30H30N8O3S
M.W.:
582.69
Type:
Unknown
AlogP:
5.00
Polar Surface Area:
142.36
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5076077 Name:
(R)-2-(4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2Show More⌵
Mol. Formula:
C29H32N8O3
M.W.:
540.63
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
142.36
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4764386 Name:
4-(3-(8-(Benzyloxy)quinoline-2-carboxamido)propoxy)-3-(phenylsulfonyl)-1,2,Show More⌵
Mol. Formula:
C28H24N4O7S
M.W.:
560.59
Type:
Unknown
AlogP:
3.47
Polar Surface Area:
147.56
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4574086 Name:
8-epi-Ophiobolin J
Mol. Formula:
C25H36O4
M.W.:
400.56
Type:
Unknown
AlogP:
4.12
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4563685 Name:
Bipolaricin F
Mol. Formula:
C25H36O4
M.W.:
400.56
Type:
Unknown
AlogP:
4.12
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4517785 Name:
Bipolaricin A
Mol. Formula:
C25H36O5
M.W.:
416.56
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4474947 Name:
Bipolaricin B
Mol. Formula:
C25H36O5
M.W.:
416.56
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4472781 Name:
Bipolaricin D
Mol. Formula:
C25H34O4
M.W.:
398.54
Type:
Unknown
AlogP:
5.10
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4470987 Name:
Ophiobolin J
Mol. Formula:
C25H36O4
M.W.:
400.56
Type:
Unknown
AlogP:
4.12
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4464450 Name:
Bipolaricin E
Mol. Formula:
C25H40O3
M.W.:
388.59
Type:
Unknown
AlogP:
5.02
Polar Surface Area:
49.69
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4454927 Name:
Bipolaricin C
Mol. Formula:
C25H34O4
M.W.:
398.54
Type:
Unknown
AlogP:
4.19
Polar Surface Area:
63.60
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4446247 Name:
Bipolaricin I
Mol. Formula:
C25H34O5
M.W.:
414.54
Type:
Unknown
AlogP:
4.21
Polar Surface Area:
83.83
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4441895 Name:
Bipolaricin H
Mol. Formula:
C25H36O3
M.W.:
384.56
Type:
Unknown
AlogP:
5.01
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4435129 Name:
Bipolaricin G
Mol. Formula:
C25H36O3
M.W.:
384.56
Type:
Unknown
AlogP:
5.01
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4175271 Name:
(3aR,5aR,8S,9R,11bR)-8-hydroxy-3a,9,11b-trimethyl-9-vinyl-3a,4,5,5a,8,9,10,Show More⌵
Mol. Formula:
C20H26O5
M.W.:
346.42
Type:
Small molecule
AlogP:
2.53
Polar Surface Area:
72.83
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
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