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ALA5203960 Name:
Phenazostatin I
Mol. Formula:
C30H22N4O5
M.W.:
518.53
Type:
---
AlogP:
5.48
Polar Surface Area:
146.39
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5201379 Name:
(3E,5R,6R,7E,9E,12E)-5-hydroxy-14-(4-hydroxy-5,6-dimethoxy-2-pyridyl)-4,6,8Show More⌵
Mol. Formula:
C26H37NO5
M.W.:
443.58
Type:
---
AlogP:
5.11
Polar Surface Area:
88.88
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5201045 Name:
Phenazostatin H
Mol. Formula:
C30H22N4O5
M.W.:
518.53
Type:
---
AlogP:
5.48
Polar Surface Area:
146.39
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5198861 Name:
(R)-6-(1-((2-aminobenzoyl)oxy)ethyl)phenazine-1-carboxylic acid
Mol. Formula:
C22H17N3O4
M.W.:
387.40
Type:
---
AlogP:
3.98
Polar Surface Area:
115.40
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5198610 Name:
(2S,3S,4R,5R,6S)-2-[(1S,2R,3E,5E,8E)-10-(4-hydroxy-5,6-dimethoxy-3-methyl-2Show More⌵
Mol. Formula:
C30H45NO9
M.W.:
563.69
Type:
---
AlogP:
2.89
Polar Surface Area:
150.96
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5183099 Name:
(R)-6-(1-((6-acetylphenazine-1-carbonyl)oxy)ethyl)phenazine-1-carboxylic acShow More⌵
Mol. Formula:
C30H20N4O5
M.W.:
516.51
Type:
---
AlogP:
5.70
Polar Surface Area:
132.23
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4781181 Name:
3-((2-oxo-5-(2-phenylthiazol-4-yl)indolin-3-ylidene)methyl)-2H-isoindole-1-Show More⌵
Mol. Formula:
C27H17N3O3S
M.W.:
463.52
Type:
Unknown
AlogP:
6.15
Polar Surface Area:
95.08
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4644735 Name:
Pestalotioquinoside B
Mol. Formula:
C27H34O8
M.W.:
486.56
Type:
Unknown
AlogP:
3.04
Polar Surface Area:
136.68
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4643909 Name:
Pestalotioquinol A
Mol. Formula:
C21H28O4
M.W.:
344.45
Type:
Unknown
AlogP:
3.64
Polar Surface Area:
80.92
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4643085 Name:
Pestalotioquinol E; (E)-2-(7,11-dimethyl-3-methylenedodeca-6,10-dien-1-yn-1Show More⌵
Mol. Formula:
C21H26O2
M.W.:
310.44
Type:
Unknown
AlogP:
5.48
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4641268 Name:
Pestalotioquinoside C
Mol. Formula:
C22H28O6
M.W.:
388.46
Type:
Unknown
AlogP:
2.25
Polar Surface Area:
99.38
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4640786 Name:
Pestalotioquinol C; (Z)-6-(2,5-dihydroxyphenyl)-4-methylhex-3-en-5-ynoic acShow More⌵
Mol. Formula:
C13H12O4
M.W.:
232.24
Type:
Unknown
AlogP:
1.87
Polar Surface Area:
77.76
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4637756 Name:
Pestalotioquinoside A
Mol. Formula:
C27H36O6
M.W.:
456.58
Type:
Unknown
AlogP:
3.98
Polar Surface Area:
99.38
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4636495 Name:
Pestalotioquinol D
Mol. Formula:
C13H12O4
M.W.:
232.24
Type:
Unknown
AlogP:
1.87
Polar Surface Area:
77.76
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4635695 Name:
Pestalotioquinol F
Mol. Formula:
C22H28O5
M.W.:
372.46
Type:
Unknown
AlogP:
3.64
Polar Surface Area:
97.99
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4592766 Name:
2-[(9R,10R)-10-[(2S,3S)-2,3-dimethyloxiran-2-yl]-10-hydroxy-3,5,7,9-tetrameShow More⌵
Mol. Formula:
C26H39NO5
M.W.:
445.60
Type:
Unknown
AlogP:
5.06
Polar Surface Area:
84.34
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4587720 Name:
5-Hydroxy-6-hydroxymethyl glucopiericidin A
Mol. Formula:
C32H51NO11
M.W.:
625.76
Type:
Unknown
AlogP:
2.10
Polar Surface Area:
180.42
HBA:
12
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4580920 Name:
10-Ketone piericidin A
Mol. Formula:
C25H35NO4
M.W.:
413.56
Type:
Unknown
AlogP:
5.67
Polar Surface Area:
68.65
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4572057 Name:
2-hydroxymethyl-delta3,4-glucopiericidin A
Mol. Formula:
C32H49NO10
M.W.:
607.74
Type:
Unknown
AlogP:
2.91
Polar Surface Area:
160.19
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4555843 Name:
13-Hydroxypiericidin A 10-O-alpha-D-galactose(1->6)-beta-D-glucoside
Mol. Formula:
C37H57NO15
M.W.:
755.86
Type:
Unknown
AlogP:
0.08
Polar Surface Area:
250.34
HBA:
16
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
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