Type:
Small moleculeAlogP:
2.43Polar Surface Area:
167.15HBA:
9HBD:
3#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
Small moleculeAlogP:
0.83Polar Surface Area:
57.53HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.41DETAILS
Type:
Small moleculeAlogP:
3.70Polar Surface Area:
35.53HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
Small moleculeAlogP:
0.92Polar Surface Area:
57.53HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.50DETAILS
ALA1173337Name:
Diisopropyl 2-(sulfanylmethyl)phenylphosphonateMol. Formula:
C13H21O3PSM.W.:
288.35Type:
Small moleculeAlogP:
3.78Polar Surface Area:
35.53HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS-
Type:
Small moleculeAlogP:
0.78Polar Surface Area:
57.53HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.45DETAILS - ALA1172387
Name:
diisopropyl 2-mercaptophenylphosphonateCas Number:
149794-59-2Mol. Formula:
C12H19O3PSM.W.:
274.32Type:
Small moleculeAlogP:
3.64Polar Surface Area:
35.53HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
1.93Polar Surface Area:
57.53HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
2.45Polar Surface Area:
57.53HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
2.56Polar Surface Area:
57.53HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
1.80Polar Surface Area:
66.76HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA1173797
Name:
alpha-Sulfanyl(2,4-dichlorobenzyl)phosphonic acidMol. Formula:
C7H7Cl2O3PSM.W.:
273.08Type:
Small moleculeAlogP:
3.10Polar Surface Area:
57.53HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
0.92Polar Surface Area:
57.53HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
1.79Polar Surface Area:
57.53HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
4.66Polar Surface Area:
35.53HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS
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