Type:
UnknownAlogP:
2.92Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS
Type:
UnknownAlogP:
4.24Polar Surface Area:
89.07HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
2.47Polar Surface Area:
138.45HBA:
7HBD:
6#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA1685066Name:
D-3-deoxyphosphatidylinositol ether lipidCas Number:
253440-95-8Mol. Formula:
C28H57O10PM.W.:
584.73Type:
Small moleculeAlogP:
4.63Polar Surface Area:
155.14HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
25Passes Ro3:
NQED Weighted:
0.08DETAILS
ALA1685065Name:
Phosphatidylinositol(3,4,5)-trisphosphateCas Number:
165689-82-7Mol. Formula:
C41H82O22P4M.W.:
1050.98Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
Small moleculeAlogP:
5.80Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
5.80Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
6.95Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
2.50Polar Surface Area:
92.18HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
3.57Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA1685059
Name:
N-(1,3,4-Thiadiazol-2-yl)biphenyl-4-sulfonamideMol. Formula:
C14H11N3O2S2M.W.:
317.40Type:
Small moleculeAlogP:
3.01Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
4.45Polar Surface Area:
132.11HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
5.29Polar Surface Area:
92.18HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
5.98Polar Surface Area:
98.25HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
5.91Polar Surface Area:
98.25HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
5.43Polar Surface Area:
109.25HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
7.10Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
6.36Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
6.11Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
8.14Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.19DETAILS
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