Type:
---AlogP:
1.54Polar Surface Area:
80.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS
Type:
---AlogP:
2.03Polar Surface Area:
80.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
UnknownAlogP:
4.13Polar Surface Area:
142.66HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
Small moleculeAlogP:
4.23Polar Surface Area:
30.82HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
Small moleculeAlogP:
3.58Polar Surface Area:
30.82HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS-
Type:
Small moleculeAlogP:
3.41Polar Surface Area:
40.05HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA1098914
Name:
2-3(4-methylphenyl)-1,4,2-dioxazole-5-yl-phenolMol. Formula:
C15H13NO3M.W.:
255.27Type:
Small moleculeAlogP:
3.11Polar Surface Area:
51.05HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
3.40Polar Surface Area:
30.82HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
3.89Polar Surface Area:
73.96HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
3.24Polar Surface Area:
73.96HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.07Polar Surface Area:
83.19HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA1095898
Name:
2-[3-(5-nitro-2-thienyl)-1,4,2dioxazol-5-yl]phenolMol. Formula:
C12H8N2O5SM.W.:
292.27Type:
Small moleculeAlogP:
2.77Polar Surface Area:
94.19HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA1095573
Name:
3-(5-Nitro-2-thienyl)-5-phenyl-1,4,2-dioxazoleMol. Formula:
C12H8N2O4SM.W.:
276.27Type:
Small moleculeAlogP:
3.06Polar Surface Area:
73.96HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
4.50Polar Surface Area:
61.64HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
1.30Polar Surface Area:
65.18HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
4.54Polar Surface Area:
98.56HBA:
10HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
6.75Polar Surface Area:
61.64HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
5.63Polar Surface Area:
61.64HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
7.11Polar Surface Area:
61.64HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
5.81Polar Surface Area:
61.64HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS
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