Type:
UnknownAlogP:
-2.54Polar Surface Area:
179.05HBA:
7HBD:
6#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
0.45Polar Surface Area:
144.23HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
UnknownAlogP:
0.45Polar Surface Area:
144.23HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
UnknownAlogP:
2.53Polar Surface Area:
158.47HBA:
9HBD:
4#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.13DETAILS-
Type:
UnknownAlogP:
1.74Polar Surface Area:
171.72HBA:
9HBD:
4#RO5 Violations:
1#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
UnknownAlogP:
2.74Polar Surface Area:
158.75HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
UnknownAlogP:
1.63Polar Surface Area:
142.34HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
UnknownAlogP:
2.53Polar Surface Area:
158.47HBA:
9HBD:
4#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
UnknownAlogP:
0.56Polar Surface Area:
170.25HBA:
11HBD:
3#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
UnknownAlogP:
1.62Polar Surface Area:
144.23HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
UnknownAlogP:
-0.32Polar Surface Area:
144.23HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
1.96Polar Surface Area:
158.75HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4545310
Name:
N1,N1,N2-tris(pyridin-2-ylmethyl)ethane-1,2-diamineMol. Formula:
C20H23N5M.W.:
333.44Type:
UnknownAlogP:
2.66Polar Surface Area:
53.94HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
UnknownAlogP:
1.75Polar Surface Area:
158.47HBA:
9HBD:
4#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
UnknownAlogP:
2.74Polar Surface Area:
158.75HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.13DETAILS - ALA4517174
Name:
methyl bis(pyridin-2-ylmethyl)glycyl-D-alanyl-D-alaninateMol. Formula:
C21H27N5O4M.W.:
413.48Type:
UnknownAlogP:
0.66Polar Surface Area:
113.52HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
2.58Polar Surface Area:
37.30HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.79DETAILS - ALA4096976
Name:
4-(3-ethoxyphenyl)-2-(sulfonylmethyl)benzoic acidMol. Formula:
C16H16O3SM.W.:
288.37Type:
Small moleculeAlogP:
3.88Polar Surface Area:
46.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS
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