ALA446774Name:
(S,E)-2-(5-hydroxy-8,9-dihydro-5H-benzo[7]annulen-6(7H)-ylidene)acetic acidMol. Formula:
C13H14O3M.W.:
218.25Type:
Small moleculeAlogP:
2.07Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.56DETAILS
ALA514926Name:
(R)-2-(5-hydroxy-8,9-dihydro-5H-benzo[7]annulen-6(7H)-ylidene)acetic acidMol. Formula:
C13H14O3M.W.:
218.25Type:
Small moleculeAlogP:
2.07Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.56DETAILS
Type:
Small moleculeAlogP:
-0.82Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
-0.73Polar Surface Area:
58.56HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
Small moleculeAlogP:
-0.82Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS-
Type:
Small moleculeAlogP:
-0.73Polar Surface Area:
58.56HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS - Boc-(2S,4R)-4-hydroxypiperidine-2-carboxylic acid
Name:
(2R,4S)-4-hydroxypiperidine-2-carboxylic acidMol. Formula:
C6H11NO3M.W.:
145.16Type:
Small moleculeAlogP:
-0.82Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
3.33Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
1.93Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS - 3-Benzyloxyphenylacetic Acid
Name:
(3-Benzyloxy-phenyl)-acetic acidMol. Formula:
C15H14O3M.W.:
242.27Type:
Small moleculeAlogP:
2.89Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
2.94Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
1.02Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
0.48Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
0.34Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
-0.55Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.48DETAILS - 5-Hydroxypentanoic acid sodium salt
Name:
Sodium salt 5-hydroxy-pentanoateMol. Formula:
C5H9NaO3M.W.:
140.11Type:
Small moleculeAlogP:
0.23Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS - 2-Hydroxyethanesulfonic acid sodium salt
Name:
Sodium salt 2-hydroxy-ethanesulfonateMol. Formula:
C2H5NaO4SM.W.:
148.11Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - 3-Hydroxy-1-propanesulfonic acid sodium salt
Name:
Sodium salt 3-hydroxy-propane-1-sulfonateMol. Formula:
C3H7NaO4SM.W.:
162.14Type:
Small moleculeAlogP:
-0.74Polar Surface Area:
74.60HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
-0.35Polar Surface Area:
74.60HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
-0.16Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.52DETAILS
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