Type:
UnknownAlogP:
7.09Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.25DETAILS
Type:
UnknownAlogP:
4.15Polar Surface Area:
170.23HBA:
13HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS
Type:
UnknownAlogP:
-0.73Polar Surface Area:
296.22HBA:
12HBD:
9#RO5 Violations:
3#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.07DETAILS
Type:
UnknownAlogP:
0.98Polar Surface Area:
312.01HBA:
12HBD:
10#RO5 Violations:
3#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.06DETAILS
Type:
UnknownAlogP:
4.36Polar Surface Area:
98.64HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS-
Type:
UnknownAlogP:
5.53Polar Surface Area:
50.08HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
UnknownAlogP:
4.01Polar Surface Area:
12.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4760992
Name:
2-(decyldisulfanyl)pyridineCas Number:
247900-75-0Mol. Formula:
C15H25NS2M.W.:
283.51Type:
UnknownAlogP:
5.96Polar Surface Area:
12.89HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
UnknownAlogP:
4.79Polar Surface Area:
12.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4760775
Name:
Polymyxin B sulfateCas Number:
108965-61-3Mol. Formula:
C56H100N16O17SM.W.:
1301.58Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
-8.16Polar Surface Area:
332.30HBA:
18HBD:
13#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4758795
Name:
Cyrene; DihydrolevoglucosenoneCas Number:
53716-82-8Mol. Formula:
C6H8O3M.W.:
128.13Type:
UnknownAlogP:
0.09Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.46DETAILS -
Type:
UnknownAlogP:
3.87Polar Surface Area:
12.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
UnknownAlogP:
3.48Polar Surface Area:
12.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
4.24Polar Surface Area:
118.49HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
UnknownAlogP:
4.02Polar Surface Area:
12.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
4.48Polar Surface Area:
125.98HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA4780468
Name:
3-(2-pyridyldisulfanyl)propanoic acidCas Number:
68617-64-1Mol. Formula:
C8H9NO2S2M.W.:
215.30Type:
UnknownAlogP:
2.30Polar Surface Area:
50.19HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
3.87Polar Surface Area:
12.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4784534
Name:
2-(butyldisulfanyl)pyridineCas Number:
24367-41-7Mol. Formula:
C9H13NS2M.W.:
199.34Type:
UnknownAlogP:
3.62Polar Surface Area:
12.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS
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