Type:
AntibodyAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
4.23Polar Surface Area:
218.59HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
Small moleculeAlogP:
4.25Polar Surface Area:
94.45HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
Small moleculeAlogP:
-0.34Polar Surface Area:
83.83HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
Small moleculeAlogP:
0.24Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.60DETAILS-
Type:
Small moleculeAlogP:
-0.72Polar Surface Area:
80.92HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
-0.08Polar Surface Area:
64.99HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
-0.08Polar Surface Area:
64.99HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA1099263
Name:
(4S,5R,7S,8S,9S)-7,8-dihydroxydihyronepetalactoneMol. Formula:
C10H16O4M.W.:
200.23Type:
Small moleculeAlogP:
-0.07Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA1095241
Name:
(4R,5R,7S,8S,9S)-7,8-dihydroxydihyronepetalactoneMol. Formula:
C10H16O4M.W.:
200.23Type:
Small moleculeAlogP:
-0.07Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
-0.74Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
0.00Polar Surface Area:
58.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
0.68Polar Surface Area:
38.69HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
0.21Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
-0.79Polar Surface Area:
246.04HBA:
15HBD:
8#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
1.93Polar Surface Area:
134.27HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
134.27HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA1097253
Name:
hellebrigenol-3-O-sulfiteCas Number:
1224695-35-5Mol. Formula:
C24H34O9SM.W.:
498.59Type:
Small moleculeAlogP:
2.16Polar Surface Area:
154.50HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
3.04Polar Surface Area:
134.27HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
4.91Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.55DETAILS
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