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ALA5179840 Name:
Alstomairine B
Mol. Formula:
C22H27N2O4+
M.W.:
383.47
Type:
---
AlogP:
2.24
Polar Surface Area:
64.63
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5172840 Name:
Alstomairine C
Mol. Formula:
C21H25N2O4+
M.W.:
369.44
Type:
---
AlogP:
1.94
Polar Surface Area:
75.63
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4878677 Name:
Colletoin B
Mol. Formula:
C22H28O7
M.W.:
404.46
Type:
Unknown
AlogP:
1.34
Polar Surface Area:
113.29
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4845816 Name:
Colletoin C
Mol. Formula:
C22H28O7
M.W.:
404.46
Type:
Unknown
AlogP:
1.34
Polar Surface Area:
113.29
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4209418 Name:
(S)-3-((S)-7-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxoindolin-3-yl)-2-((S)-2-Show More⌵
Mol. Formula:
C25H28N2O6
M.W.:
452.51
Type:
Small molecule
AlogP:
2.36
Polar Surface Area:
135.96
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4207465 Name:
(S)-2-((S)-2-hydroxy-3-phenylpropanamido)-3-(2-(2-methylbut-3-en-2-yl)-1H-iShow More⌵
Mol. Formula:
C25H28N2O4
M.W.:
420.51
Type:
Small molecule
AlogP:
3.35
Polar Surface Area:
102.42
HBA:
3
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4205964 Name:
Shornephine A
Mol. Formula:
C25H26N2O5
M.W.:
434.49
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
99.10
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA3092296 Name:
(+/-)-6-Benzo[b]thiophen-2-yl-2,3,5,6-tetrahydro-imidazo[2,1-b]thiazole hydShow More⌵
Mol. Formula:
C13H13ClN2S2
M.W.:
296.85
Type:
Small molecule
AlogP:
3.36
Polar Surface Area:
15.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3092295 Name:
(+/-)-6-(benzo[b]thiophen-2-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrochloShow More⌵
Mol. Formula:
C13H11ClN2S2
M.W.:
294.83
Type:
Small molecule
AlogP:
3.83
Polar Surface Area:
15.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3092294 Name:
(+/-)-2-(5,6-dihydroimidazo[2,1-b]thiazol-6-yl)benzo[b]thiophen-5-amine hydShow More⌵
Mol. Formula:
C13H12ClN3S2
M.W.:
309.85
Type:
Small molecule
AlogP:
3.41
Polar Surface Area:
41.62
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA3092293 Name:
(+/-)-6-(5-nitrobenzo[b]thiophen-2-yl)-5,6-dihydroimidazo[2,1-b]thiazole hyShow More⌵
Mol. Formula:
C13H10ClN3O2S2
M.W.:
339.83
Type:
Small molecule
AlogP:
3.74
Polar Surface Area:
58.74
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA252139 Name:
1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-aminocarShow More⌵
Mol. Formula:
C39H39Cl3N4O4
M.W.:
734.12
Type:
Small molecule
AlogP:
6.40
Polar Surface Area:
104.02
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA399230 Name:
1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More⌵
Mol. Formula:
C40H42Cl2N4O5
M.W.:
729.71
Type:
Small molecule
AlogP:
5.75
Polar Surface Area:
113.25
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA398616 Name:
1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More⌵
Mol. Formula:
C35H39Cl2N5O5
M.W.:
680.63
Type:
Small molecule
AlogP:
3.64
Polar Surface Area:
133.12
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA254826 Name:
1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More⌵
Mol. Formula:
C39H39Cl2FN4O4
M.W.:
717.67
Type:
Small molecule
AlogP:
5.88
Polar Surface Area:
104.02
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA252123 Name:
1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More⌵
Mol. Formula:
C36H40Cl2N4O5
M.W.:
679.64
Type:
Small molecule
AlogP:
4.68
Polar Surface Area:
113.25
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA400525 Name:
1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More⌵
Mol. Formula:
C35H40Cl2N4O4
M.W.:
651.63
Type:
Small molecule
AlogP:
5.30
Polar Surface Area:
104.02
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA400524 Name:
1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More⌵
Mol. Formula:
C34H36Cl2N4O4
M.W.:
635.59
Type:
Small molecule
AlogP:
4.66
Polar Surface Area:
104.02
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA400523 Name:
1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More⌵
Mol. Formula:
C39H39Cl2FN4O4
M.W.:
717.67
Type:
Small molecule
AlogP:
5.88
Polar Surface Area:
104.02
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
QM31 Name:
1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-aminocarShow More⌵
Mol. Formula:
C39H38Cl4N4O4
M.W.:
768.57
Type:
Small molecule
AlogP:
7.05
Polar Surface Area:
104.02
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
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