Type:
AntibodyAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA4649904Name:
(isomer 1)-S-S-C-F-G-C-R-I-D-R-I-G-A-Q-C-G-L-G-C-N-S-F-R-NH2Mol. Formula:
C100H159N35O30S4M.W.:
2459.86Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
4.24Polar Surface Area:
49.84HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS
ALA4649824Name:
6-(Adamantan-2-yl)amino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-olMol. Formula:
C14H17N5O2M.W.:
287.32Type:
UnknownAlogP:
1.96Polar Surface Area:
96.96HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS
ALA4649773Name:
3-((6-Hydroxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)amino)benzonitrileMol. Formula:
C11H6N6O2M.W.:
254.21Type:
UnknownAlogP:
1.33Polar Surface Area:
120.75HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS- ALA4649767
Name:
N2,N3-bis(2-(trifluoromethyl)phenyl)pyrazine-2,3-diamineMol. Formula:
C18H12F6N4M.W.:
398.31Type:
UnknownAlogP:
6.00Polar Surface Area:
49.84HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4649283
Name:
6-(Methyl(phenyl)amino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-olMol. Formula:
C11H9N5O2M.W.:
243.23Type:
UnknownAlogP:
1.49Polar Surface Area:
88.17HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA4648626
Name:
6-((4-Fluorophenyl)amino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-olMol. Formula:
C10H6FN5O2M.W.:
247.19Type:
UnknownAlogP:
1.60Polar Surface Area:
96.96HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4648565
Name:
N2,N3-bis(3-(trifluoromethyl)phenyl)pyrazine-2,3-diamineMol. Formula:
C18H12F6N4M.W.:
398.31Type:
UnknownAlogP:
6.00Polar Surface Area:
49.84HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4648461
Name:
N2,N3-bis(2-fluoro-4-(trifluoromethyl)phenyl)pyrazine-2,3-diamineMol. Formula:
C18H10F8N4M.W.:
434.29Type:
UnknownAlogP:
6.28Polar Surface Area:
49.84HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA4648304
Name:
6-(Naphthalen-1-ylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-olMol. Formula:
C14H9N5O2M.W.:
279.26Type:
UnknownAlogP:
2.62Polar Surface Area:
96.96HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA4648231
Name:
6-((4-Butylphenyl)amino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-olMol. Formula:
C14H15N5O2M.W.:
285.31Type:
UnknownAlogP:
2.80Polar Surface Area:
96.96HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4648228
Name:
6-((4-(Trifluoromethoxy)phenyl)amino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-olMol. Formula:
C11H6F3N5O3M.W.:
313.19Type:
UnknownAlogP:
2.36Polar Surface Area:
106.19HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
UnknownAlogP:
4.20Polar Surface Area:
106.19HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4647767
Name:
6-(Phenethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-olMol. Formula:
C12H11N5O2M.W.:
257.25Type:
UnknownAlogP:
1.37Polar Surface Area:
96.96HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
1.78Polar Surface Area:
115.42HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
2.62Polar Surface Area:
96.96HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4647442
Name:
N2,N6-bis(3,5-bis(trifluoromethyl)phenyl)pyrazine-2,6-diamineMol. Formula:
C20H10F12N4M.W.:
534.30Type:
UnknownAlogP:
8.04Polar Surface Area:
49.84HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4647363
Name:
N2,N3-bis(4-(trifluoromethoxy)phenyl)pyrazine-2,3-diamineMol. Formula:
C18H12F6N4O2M.W.:
430.31Type:
UnknownAlogP:
5.76Polar Surface Area:
68.30HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4647296
Name:
6-(3,5-Dimethyladamantan-1-yl)amino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-olMol. Formula:
C16H21N5O2M.W.:
315.38Type:
UnknownAlogP:
2.88Polar Surface Area:
96.96HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS
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