Type:
---AlogP:
-0.67Polar Surface Area:
228.56HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
25Passes Ro3:
NQED Weighted:
0.07DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
5.27Polar Surface Area:
80.20HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.13DETAILS
ALA4642097Name:
5-amino-1-[10-[4-(4-methyltriazol-1-yl)phenyl]decyl]quinolin-4-oneMol. Formula:
C28H35N5OM.W.:
457.62Type:
UnknownAlogP:
5.84Polar Surface Area:
78.73HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
Small moleculeAlogP:
8.40Polar Surface Area:
203.32HBA:
8HBD:
7#RO5 Violations:
3#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.04DETAILS-
Type:
Small moleculeAlogP:
6.35Polar Surface Area:
223.55HBA:
9HBD:
8#RO5 Violations:
3#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.05DETAILS - ALA3251335
Name:
l-(5-Amino-5-deoxy-beta-D-arabinofuranosyl)-5-iodouracilMol. Formula:
C9H12IN3O5M.W.:
369.12Type:
Small moleculeAlogP:
-2.28Polar Surface Area:
130.57HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA3251334
Name:
l-(5-Azido-5-deoxy-beta-D-arabinofuranosyl)-5-iodouracilMol. Formula:
C9H10IN5O5M.W.:
395.11Type:
Small moleculeAlogP:
-0.93Polar Surface Area:
153.31HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA3251333
Name:
l-(5-Azido-5-deoxy-beta-D-arabinofuranosyl)-5-bromouracilMol. Formula:
C9H10BrN5O5M.W.:
348.11Type:
Small moleculeAlogP:
-0.77Polar Surface Area:
153.31HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA3250419
Name:
2,2'-Anhydro-1-beta-D-arabinofuranosyl-5-fluoroisocytosineMol. Formula:
C9H10FN3O4M.W.:
243.19Type:
Small moleculeAlogP:
-1.57Polar Surface Area:
96.61HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
-1.75Polar Surface Area:
93.81HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
-1.27Polar Surface Area:
104.55HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
-2.42Polar Surface Area:
130.83HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA3250415
Name:
1-beta-D-Ribofuranosyl-2,4-diamino-5-fluoropyrimidinium ChlorideMol. Formula:
C9H14ClFN4O4M.W.:
296.69Type:
Small moleculeAlogP:
-2.72Polar Surface Area:
138.73HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
-1.86Polar Surface Area:
104.51HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
ProteinAlogP:
3.44Polar Surface Area:
170.78HBA:
6HBD:
6#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
ProteinAlogP:
2.35Polar Surface Area:
185.19HBA:
6HBD:
6#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
ProteinAlogP:
2.74Polar Surface Area:
185.19HBA:
6HBD:
6#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
ProteinAlogP:
3.60Polar Surface Area:
168.12HBA:
6HBD:
6#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
ProteinAlogP:
2.74Polar Surface Area:
204.00HBA:
6HBD:
8#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.04DETAILS
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