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ALA5221119 Name:
N2,N9-bis[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1,10-phenanthroline-2,9Show More⌵
Mol. Formula:
C36H24N6O4
M.W.:
604.63
Type:
---
AlogP:
6.03
Polar Surface Area:
149.16
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5221009 Name:
(E)-N-hexyl-1-[9-[(E)-hexyliminomethyl]-1,10-phenanthrolin-2-yl]methanimine
Mol. Formula:
C26H34N4
M.W.:
402.59
Type:
---
AlogP:
6.78
Polar Surface Area:
50.50
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5220989 Name:
N2,N9-bis(2-aminoethyl)-1,10-phenanthroline-2,9-dicarboxamide 2,2,2-trifluoShow More⌵
Mol. Formula:
C26H24F12N6O10
M.W.:
808.49
Type:
---
AlogP:
0.16
Polar Surface Area:
136.02
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5220803 Name:
tert-butyl N-[2-[[9-[2-(tert-butoxycarbonylamino)ethylcarbamoyl]-1,10-phenaShow More⌵
Mol. Formula:
C28H36N6O6
M.W.:
552.63
Type:
---
AlogP:
3.29
Polar Surface Area:
160.64
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5220725 Name:
tert-butyl N-[2-[[9-[[2-(tert-butoxycarbonylamino)ethylamino]methyl]-1,10-pShow More⌵
Mol. Formula:
C28H40N6O4
M.W.:
524.67
Type:
---
AlogP:
4.01
Polar Surface Area:
126.50
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
Type:
---
AlogP:
5.24
Polar Surface Area:
91.74
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5220437 Name:
tert-butyl N-[2-[(E)-[9-[(E)-2-(tert-butoxycarbonylamino)ethyliminomethyl]-Show More⌵
Mol. Formula:
C28H36N6O4
M.W.:
520.63
Type:
---
AlogP:
4.67
Polar Surface Area:
127.16
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5220264 Name:
1,10-phenanthroline-2,9-dicarbohydrazide
Mol. Formula:
C14H12N6O2
M.W.:
296.29
Type:
---
AlogP:
-0.01
Polar Surface Area:
136.02
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5220234 Name:
2-[(E)-[9-[(E)-2-hydroxyethyliminomethyl]-1,10-phenanthrolin-2-yl]methyleneShow More⌵
Mol. Formula:
C18H18N4O2
M.W.:
322.37
Type:
---
AlogP:
1.61
Polar Surface Area:
90.96
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5279043 Name:
N3,N7-bis[2-(4-bromophenyl)ethyl]-N3,N7-dimethyl-phenothiazin-5-ium-3,7-diaShow More⌵
Mol. Formula:
C30H28Br2IN3S
M.W.:
749.35
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
8.61
Polar Surface Area:
19.37
HBA:
3
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5289500 Name:
1-[N-[4-(4-guanidinophenyl)sulfanylphenyl]carbamimidoyl]-3-[4-[(1Z,4Z,9Z,15Show More⌵
Mol. Formula:
C59H46ClN11OS
M.W.:
992.61
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
13.95
Polar Surface Area:
196.27
HBA:
6
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5268153 Name:
1-[N-[4-(4-guanidinophenoxy)phenyl]carbamimidoyl]-3-[4-[(1Z,4Z,9Z,15Z)-10,1Show More⌵
Mol. Formula:
C59H46ClN11O2
M.W.:
976.54
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
13.59
Polar Surface Area:
205.50
HBA:
6
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5198560 Name:
(3S)-3-amino-1-[(5-methylbenzofuro[3,2-b]quinolin-5-ium-11-yl)amino]-4-phenShow More⌵
Mol. Formula:
C26H24N3O2+
M.W.:
410.50
Type:
---
AlogP:
4.11
Polar Surface Area:
72.14
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5196555 Name:
Mol. Formula:
C40H52N12O12
M.W.:
892.93
Type:
---
AlogP:
-2.05
Polar Surface Area:
389.44
HBA:
16
HBD:
12
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5205732 Name:
Mol. Formula:
C40H48N8
M.W.:
640.88
Type:
---
AlogP:
7.07
Polar Surface Area:
99.68
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5205585 Name:
(2S,3S,4R,5S,6S)-2-(2-(2-(4-(2-(9-Ethyl-9H-carbazol-3-yl)-4,5-bis(4-(4-methShow More⌵
Mol. Formula:
C55H65N7O8
M.W.:
952.17
Type:
---
AlogP:
5.72
Polar Surface Area:
153.55
HBA:
15
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5204394 Name:
Mol. Formula:
C52H58N6O4
M.W.:
831.07
Type:
---
AlogP:
7.54
Polar Surface Area:
91.10
HBA:
10
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5203923 Name:
3,9-bis((2-(4,5-dihydro-1H-imidazol-2-yl)hydrazineylidene)methyl)-2,8-di(thShow More⌵
Mol. Formula:
C24H22N12S2
M.W.:
542.66
Type:
---
AlogP:
2.20
Polar Surface Area:
132.16
HBA:
14
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5203534 Name:
Chrexanthomycin A
Mol. Formula:
C31H24O14
M.W.:
620.52
Type:
---
AlogP:
2.08
Polar Surface Area:
241.49
HBA:
12
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5203464 Name:
(2S,3S,4R,5R,6S)-2-(2-(2-(2-(9-Ethyl-9H-carbazol-3-yl)-4,5-bis(4-(4-methylpShow More⌵
Mol. Formula:
C49H61N7O7
M.W.:
860.07
Type:
---
AlogP:
4.35
Polar Surface Area:
144.32
HBA:
14
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
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