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ALA5278772 Name:
Gageopeptide B
Mol. Formula:
C39H72N4O9
M.W.:
741.02
Type:
---
AlogP:
5.02
Polar Surface Area:
200.23
HBA:
8
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
29
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5282805 Name:
7-methoxy-3-methyl-4H-furo[3,2-c]chromen-4-one
Mol. Formula:
C13H10O4
M.W.:
230.22
Type:
---
AlogP:
2.86
Polar Surface Area:
52.58
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5276193 Name:
7-ethoxy-3-methyl-4H-furo[3,2-c]chromen-4-one
Mol. Formula:
C14H12O4
M.W.:
244.25
Type:
---
AlogP:
3.25
Polar Surface Area:
52.58
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5275286 Name:
Gageopeptide A
Mol. Formula:
C37H68N4O9
M.W.:
712.97
Type:
---
AlogP:
4.54
Polar Surface Area:
211.23
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
28
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5273349 Name:
Gageopeptide D
Mol. Formula:
C38H70N4O9
M.W.:
727.00
Type:
---
AlogP:
4.79
Polar Surface Area:
211.23
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
28
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5266657 Name:
Gageopeptide C
Mol. Formula:
C37H68N4O9
M.W.:
712.97
Type:
---
AlogP:
4.40
Polar Surface Area:
211.23
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
27
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5195820 Name:
Peninaphone C
Mol. Formula:
C15H12O5
M.W.:
272.26
Type:
---
AlogP:
2.68
Polar Surface Area:
90.90
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5188349 Name:
3,4,5-trimethoxy-N-((1-(3,4,5-trimethoxyphenyl)-9H
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Mol. Formula:
C31H30N4O7S
M.W.:
602.67
Type:
---
AlogP:
5.56
Polar Surface Area:
125.19
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5186418 Name:
2,6-difluoro-N-((1-(3,4,5-trimethoxyphenyl)-9H-pyr
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Mol. Formula:
C28H22F2N4O5
M.W.:
532.50
Type:
---
AlogP:
5.65
Polar Surface Area:
114.57
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5184023 Name:
1-(4-(trifluoromethyl)phenyl)-3-(1-(3,4,5-trimetho
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Mol. Formula:
C28H23F3N4O4
M.W.:
536.51
Type:
---
AlogP:
7.07
Polar Surface Area:
97.50
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5183960 Name:
2-cyclopropyl-5-(1-phenyl-9H-pyrido[3,4-b]indol-3-
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Mol. Formula:
C22H16N4O
M.W.:
352.40
Type:
---
AlogP:
5.31
Polar Surface Area:
67.60
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5170214 Name:
2,6-difluoro-N-((1-(4-methoxyphenyl)-9H-pyrido[3,4
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Mol. Formula:
C26H18F2N4O3
M.W.:
472.45
Type:
---
AlogP:
5.63
Polar Surface Area:
96.11
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3120855 Name:
[1',1'':1,4'-terphenyl]-2',3',5'-triol 2'-O-beta-g
Show More⌵
Mol. Formula:
C25H24O9
M.W.:
468.46
Type:
Small molecule
AlogP:
1.79
Polar Surface Area:
145.91
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA3120854 Name:
[1',1'':1,4'-terphenyl]-2'-methoxyl-3',5'-diol 5'-
Show More⌵
Mol. Formula:
C25H24O9
M.W.:
468.46
Type:
Small molecule
AlogP:
2.01
Polar Surface Area:
145.91
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3120853 Name:
[1',1'':1,4'-terphenyl]-2',3',5'-triol 2'-O-beta-g
Show More⌵
Mol. Formula:
C24H22O9
M.W.:
454.43
Type:
Small molecule
AlogP:
1.70
Polar Surface Area:
156.91
HBA:
8
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA3120852 Name:
4,7-bisphenyl-5,6-benzo[d]thiazoldiol 5-O-beta-glu
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Mol. Formula:
C25H21NO8S
M.W.:
495.51
Type:
Small molecule
AlogP:
2.61
Polar Surface Area:
149.57
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3120851 Name:
4,7-bisphenyl-5,6-dihydroxy-3-methyl-2(3H)-benzoth
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Mol. Formula:
C26H23NO9S
M.W.:
525.54
Type:
Small molecule
AlogP:
1.91
Polar Surface Area:
158.68
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA2386027 Name:
2-(3-Chlorobenzylthio)-5-((5,7-dimethyl-[1,2,4]tri
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Mol. Formula:
C17H15ClN6S3
M.W.:
435.00
Type:
Small molecule
AlogP:
4.83
Polar Surface Area:
68.86
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2386026 Name:
2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2
Show More⌵
Mol. Formula:
C18H18N6S3
M.W.:
414.59
Type:
Small molecule
AlogP:
4.49
Polar Surface Area:
68.86
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA2386025 Name:
2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2
Show More⌵
Mol. Formula:
C18H18N6S3
M.W.:
414.59
Type:
Small molecule
AlogP:
4.49
Polar Surface Area:
68.86
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
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