Type:
Small moleculeAlogP:
3.15Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
4.05Polar Surface Area:
28.68HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
Small moleculeAlogP:
3.83Polar Surface Area:
37.08HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS
ALA1908065Name:
Methylbiphenyl-1,2,3-TriazoleCas Number:
114772-80-4Mol. Formula:
C15H13N3M.W.:
235.29Type:
Small moleculeAlogP:
3.45Polar Surface Area:
41.57HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA1908064Name:
Methylbiphenyl TetrazoleCas Number:
120568-11-8Mol. Formula:
C14H12N4M.W.:
236.28Type:
Small moleculeAlogP:
2.84Polar Surface Area:
54.46HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.74DETAILS- ALA1907989
Name:
Benzo[a]pyrene-3,6-quinolCas Number:
63148-10-7Mol. Formula:
C20H12O2M.W.:
284.31Type:
Small moleculeAlogP:
5.15Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA1908013
Name:
4,5-Dihydroxybenzo[a]pyreneCas Number:
57304-00-4Mol. Formula:
C20H12O2M.W.:
284.31Type:
Small moleculeAlogP:
5.15Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
1.94Polar Surface Area:
33.12HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.61DETAILS
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