Type:
---AlogP:
1.09Polar Surface Area:
192.51HBA:
6HBD:
6#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.12DETAILS
Type:
---AlogP:
1.77Polar Surface Area:
192.51HBA:
7HBD:
6#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.12DETAILS
Type:
---AlogP:
1.06Polar Surface Area:
201.74HBA:
7HBD:
6#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.11DETAILS
Type:
---AlogP:
1.00Polar Surface Area:
192.51HBA:
7HBD:
6#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.12DETAILS
Type:
Small moleculeAlogP:
4.15Polar Surface Area:
149.74HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.12DETAILS-
Type:
Small moleculeAlogP:
2.59Polar Surface Area:
149.74HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
1.81Polar Surface Area:
149.74HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
4.94Polar Surface Area:
149.74HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA2287962
Name:
N-(1-((6-chloro-5-nitropyridin-3-yl)methyl)imidazolidin-2-ylidene)nitramideMol. Formula:
C9H9ClN6O4M.W.:
300.66Type:
Small moleculeAlogP:
0.60Polar Surface Area:
126.80HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA2287961
Name:
N-(1-((6-chloro-5-cyanopyridin-3-yl)methyl)imidazolidin-2-ylidene)nitramideMol. Formula:
C10H9ClN6O2M.W.:
280.68Type:
Small moleculeAlogP:
0.56Polar Surface Area:
107.45HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA2287960
Name:
methyl 2-chloro-5-((2-(nitroimino)imidazolidin-1-yl)methyl)nicotinateMol. Formula:
C11H12ClN5O4M.W.:
313.70Type:
Small moleculeAlogP:
0.47Polar Surface Area:
109.96HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
1.71Polar Surface Area:
83.66HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
2.35Polar Surface Area:
83.66HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA2287957
Name:
N-(1-((5-butyl-6-chloropyridin-3-yl)methyl)imidazolidin-2-ylidene)nitramideMol. Formula:
C13H18ClN5O2M.W.:
311.77Type:
Small moleculeAlogP:
2.03Polar Surface Area:
83.66HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
1.64Polar Surface Area:
83.66HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA2287955
Name:
N-(1-((6-chloro-5-ethylpyridin-3-yl)methyl)imidazolidin-2-ylidene)nitramideMol. Formula:
C11H14ClN5O2M.W.:
283.72Type:
Small moleculeAlogP:
1.25Polar Surface Area:
83.66HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
1.00Polar Surface Area:
83.66HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
2.26Polar Surface Area:
92.89HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
1.87Polar Surface Area:
92.89HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
1.48Polar Surface Area:
92.89HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS
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