ALA5221105Name:
(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxo-butane-2-sulfonic acidMol. Formula:
C11H12N2O4S2M.W.:
300.36Type:
---AlogP:
1.90Polar Surface Area:
96.36HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA5221084Name:
ammonia 2-(1,8-naphthyridin-3-ylamino)-2-oxo-ethanesulfonic acidMol. Formula:
C10H12N4O4SM.W.:
284.30Type:
---AlogP:
0.46Polar Surface Area:
109.25HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
---AlogP:
2.26Polar Surface Area:
109.25HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
---AlogP:
3.07Polar Surface Area:
96.36HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA5220894Name:
ammonia 2-(3,5-dichloroanilino)-2-oxo-ethanesulfonic acidMol. Formula:
C8H10Cl2N2O4SM.W.:
301.15Type:
---AlogP:
1.82Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS- ALA5220687
Name:
ammonia 1,3-benzothiazol-2-ylcarbamoylsulfamic acidMol. Formula:
C8H10N4O4S2M.W.:
290.33Type:
---AlogP:
1.22Polar Surface Area:
108.39HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
---AlogP:
0.61Polar Surface Area:
95.50HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA5220487
Name:
2-(3,5-diiodoanilino)-2-oxo-ethanesulfonic acidMol. Formula:
C8H7I2NO4SM.W.:
467.02Type:
---AlogP:
1.72Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA5220479
Name:
N-(3,5-dibromo-4-methyl-phenyl)-2-(phenylsulfamoyl)acetamideMol. Formula:
C15H14Br2N2O3SM.W.:
462.16Type:
---AlogP:
3.90Polar Surface Area:
75.27HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
---AlogP:
2.21Polar Surface Area:
125.04HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA5220369
Name:
2-(3,5-dibromoanilino)-2-oxo-ethanesulfonic acidMol. Formula:
C8H7Br2NO4SM.W.:
373.02Type:
---AlogP:
2.04Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA5220336
Name:
(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxo-butane-2-sulfonic acidMol. Formula:
C12H14N2O4S2M.W.:
314.39Type:
---AlogP:
2.15Polar Surface Area:
96.36HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
---AlogP:
3.48Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA5220151
Name:
(2S)-1-(1,3-benzothiazol-2-ylamino)-3-hydroxy-1-oxo-propane-2-sulfonic acidMol. Formula:
C10H10N2O5S2M.W.:
302.33Type:
---AlogP:
0.48Polar Surface Area:
116.59HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA5220131
Name:
(1R)-1-cyano-2-(3,5-dibromo-4-methyl-anilino)-2-oxo-ethanesulfonic acidMol. Formula:
C10H8Br2N2O4SM.W.:
412.06Type:
---AlogP:
2.24Polar Surface Area:
107.26HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA5220051
Name:
2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethanesulfonic acidMol. Formula:
C9H7N3O6S2M.W.:
317.30Type:
---AlogP:
1.03Polar Surface Area:
139.50HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
---AlogP:
3.48Polar Surface Area:
96.36HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
---AlogP:
2.88Polar Surface Area:
109.25HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA5220012
Name:
(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxo-propane-2-sulfonic acidMol. Formula:
C10H10N2O4S2M.W.:
286.33Type:
---AlogP:
1.51Polar Surface Area:
96.36HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA5219998
Name:
2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethanesulfonic acidMol. Formula:
C10H7F6NO4SM.W.:
351.22Type:
---AlogP:
2.55Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS
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