Type:
UnknownAlogP:
3.67Polar Surface Area:
184.43HBA:
13HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.11DETAILS
Type:
UnknownAlogP:
6.52Polar Surface Area:
34.14HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
Small moleculeAlogP:
2.66Polar Surface Area:
80.62HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
Small moleculeAlogP:
3.29Polar Surface Area:
94.47HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
Small moleculeAlogP:
4.47Polar Surface Area:
65.01HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.49DETAILS-
Type:
Small moleculeAlogP:
5.23Polar Surface Area:
65.01HBA:
3HBD:
1#RO5 Violations:
2#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
65.01HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
4.47Polar Surface Area:
65.01HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
0.66Polar Surface Area:
103.78HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA3361249
Name:
(7E)-7,8-DehydroheliobuphthalminCas Number:
103001-05-4Mol. Formula:
C22H20O8M.W.:
412.39Type:
Small moleculeAlogP:
2.73Polar Surface Area:
89.52HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
2.01Polar Surface Area:
43.85HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.17Polar Surface Area:
43.85HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
3.64Polar Surface Area:
30.71HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
3.77Polar Surface Area:
30.96HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.24Polar Surface Area:
17.82HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
-2.70Polar Surface Area:
228.81HBA:
16HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
-2.57Polar Surface Area:
219.58HBA:
15HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
3.44Polar Surface Area:
105.83HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.53Polar Surface Area:
128.86HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
4.58Polar Surface Area:
128.86HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.27DETAILS
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