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ALA4513568 Name:
7,4',7''-tri-O-methylcupressuflavone
Mol. Formula:
C33H24O10
M.W.:
580.55
Type:
Unknown
AlogP:
6.04
Polar Surface Area:
148.80
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4476718 Name:
2-(3,4-dihydroxyphenyl)-3H-naphtho[1,2-e][1,2]oxab
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Mol. Formula:
C18H13BO5
M.W.:
320.11
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4475538 Name:
[5-(10-Methyl-10H-phenothiazin-3-ylmethylene)-4-ox
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Mol. Formula:
C25H24N2O5S3
M.W.:
528.68
Type:
Unknown
AlogP:
4.82
Polar Surface Area:
68.31
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4474954 Name:
(E)-3-(m-tolyl)-1-(2,3,4-trihydroxyphenyl)prop-2-e
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Mol. Formula:
C16H14O4
M.W.:
270.28
Type:
Unknown
AlogP:
3.01
Polar Surface Area:
77.76
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4536141 Name:
7,7'',4'''-tri-O-methylagathisflavone
Mol. Formula:
C33H24O10
M.W.:
580.55
Type:
Unknown
AlogP:
6.04
Polar Surface Area:
148.80
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4524154 Name:
3-(4,5-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphen
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Mol. Formula:
C16H14O5
M.W.:
286.28
Type:
Unknown
AlogP:
2.71
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4522982 Name:
Cryptomerin B
Cas Number:
22012-98-2
Mol. Formula:
C32H22O10
M.W.:
566.52
Type:
Unknown
AlogP:
6.16
Polar Surface Area:
148.80
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4522050 Name:
ethyl 2-acetamido-3-(1-(2-(trifluoromethyl)phenyl)
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Mol. Formula:
C26H23F6N7O3
M.W.:
595.50
Type:
Unknown
AlogP:
4.11
Polar Surface Area:
116.82
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4535330 Name:
(E)-3-(4-methoxyphenyl)-1-(2,3,4-trihydroxyphenyl)
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Mol. Formula:
C16H14O5
M.W.:
286.28
Type:
Unknown
AlogP:
2.71
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4534352 Name:
4-(3-hydroxy-3H-naphtho[1,2-e][1,2]oxaborinin-2-yl
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Mol. Formula:
C18H13BO4
M.W.:
304.11
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4534005 Name:
GSM_NC
Mol. Formula:
C25H23F3N6O2
M.W.:
496.49
Type:
Unknown
AlogP:
4.53
Polar Surface Area:
78.07
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4558518 Name:
GSI_NC
Mol. Formula:
C28H35ClF2N2O4S
M.W.:
569.11
Type:
Unknown
AlogP:
6.22
Polar Surface Area:
75.71
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4554693 Name:
7,4'''-di-O-methylagathisflavone
Mol. Formula:
C32H22O10
M.W.:
566.52
Type:
Unknown
AlogP:
5.74
Polar Surface Area:
159.80
HBA:
10
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4552863 Name:
2-(3,5-dihydroxyphenyl)-3H-naphtho[1,2-e][1,2]oxab
Show More⌵
Mol. Formula:
C18H13BO5
M.W.:
320.11
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4571653 Name:
(E)-1-(3,5-dihydroxyphenyl)-3-(4-methoxyphenyl)pro
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Mol. Formula:
C16H14O4
M.W.:
270.28
Type:
Unknown
AlogP:
3.00
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4570231 Name:
(Ethoxycarbonylmethyl{2-[5-(10-methyl-10H-phenothi
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Mol. Formula:
C27H27N3O6S3
M.W.:
585.73
Type:
Unknown
AlogP:
4.08
Polar Surface Area:
96.46
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4569343 Name:
NA
Mol. Formula:
C33H45ClN4O2
M.W.:
565.20
Type:
Unknown
AlogP:
7.01
Polar Surface Area:
74.33
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4566976 Name:
1-Adamantan-1-yl-3-[8-(7-methoxy-1,2,3,4-tetrahydr
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Mol. Formula:
C33H48N4OS
M.W.:
548.84
Type:
Unknown
AlogP:
7.31
Polar Surface Area:
58.21
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4745075 Name:
(E)-4-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopr
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Mol. Formula:
C32H28N2O4
M.W.:
504.59
Type:
Unknown
AlogP:
6.63
Polar Surface Area:
59.08
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4744986 Name:
9-Methoxy-2,3,10-trihydroxy-5,6-dihydroisoquinolin
Show More⌵
Mol. Formula:
C18H16ClNO4
M.W.:
345.78
Type:
Unknown
AlogP:
2.48
Polar Surface Area:
73.80
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
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