Type:
Small moleculeAlogP:
-2.91Polar Surface Area:
468.40HBA:
25HBD:
11#RO5 Violations:
3#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.05DETAILS
Type:
Small moleculeAlogP:
2.29Polar Surface Area:
256.73HBA:
9HBD:
7#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
Small moleculeAlogP:
3.52Polar Surface Area:
231.63HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.13DETAILS
3-[(E)-{4-Formyl-5-Hydroxy-6-Methyl-3-[(Phosphonooxy)methyl]pyridin-2-Yl}diazenyl]-7-Nitronaphthalene-1,5-Disulfonic AcidName:
PPNDSMol. Formula:
C18H15N4O14PS2M.W.:
606.44Type:
Small moleculeAlogP:
2.49Polar Surface Area:
293.55HBA:
13HBD:
5#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.06DETAILS
ALA337395Name:
2',3'-O- (2,4,6-trinitrophenyl) adenosine 5'-triphosphateMol. Formula:
C16H17N8O19P3M.W.:
718.27Type:
Small moleculeAlogP:
-0.89Polar Surface Area:
386.55HBA:
20HBD:
5#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.11DETAILS-
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
245.73HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
2.73Polar Surface Area:
191.36HBA:
8HBD:
5#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
1.22Polar Surface Area:
300.10HBA:
12HBD:
7#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
1.49Polar Surface Area:
241.18HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
1.80Polar Surface Area:
189.97HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
2.93Polar Surface Area:
141.67HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
2.37Polar Surface Area:
228.41HBA:
12HBD:
3#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
3.66Polar Surface Area:
113.60HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
2.40Polar Surface Area:
207.04HBA:
8HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
0.31Polar Surface Area:
166.64HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
2.36Polar Surface Area:
247.50HBA:
8HBD:
7#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
2.74Polar Surface Area:
169.74HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
2.70Polar Surface Area:
169.74HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
178.97HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
3.56Polar Surface Area:
167.97HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.36DETAILS
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