Type:
---AlogP:
6.41Polar Surface Area:
158.65HBA:
11HBD:
1#RO5 Violations:
3#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.03DETAILS
Type:
---AlogP:
6.43Polar Surface Area:
158.65HBA:
11HBD:
1#RO5 Violations:
3#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.05DETAILS
Type:
---AlogP:
4.07Polar Surface Area:
158.65HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.08DETAILS
Type:
---AlogP:
5.62Polar Surface Area:
158.65HBA:
11HBD:
1#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.08DETAILS
Type:
Small moleculeAlogP:
2.99Polar Surface Area:
142.39HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS- ALA4101940
Name:
3-(Pyridin-3-yl)-5-(trifluoromethyl)benzoic AcidMol. Formula:
C13H8F3NO2M.W.:
267.21Type:
Small moleculeAlogP:
3.47Polar Surface Area:
50.19HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
1.79Polar Surface Area:
71.53HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
4.51Polar Surface Area:
61.36HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4098258
Name:
N-(2-Fluorophenyl)-5-isopropylisoxazole-3-carboxamideMol. Formula:
C13H13FN2O2M.W.:
248.26Type:
Small moleculeAlogP:
3.19Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
-0.89Polar Surface Area:
203.73HBA:
6HBD:
7#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA4095225
Name:
N-(3-Chloro-4-fluorophenyl)-5-isopropyl-N-methylisoxazole-3-carboxamideMol. Formula:
C14H14ClFN2O2M.W.:
296.73Type:
Small moleculeAlogP:
3.87Polar Surface Area:
46.34HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA4092687
Name:
1-(3-(4-fluorophenoxy)propyl)-3-(4-methoxyphenyl)guanidineMol. Formula:
C17H20FN3O2M.W.:
317.36Type:
Small moleculeAlogP:
3.24Polar Surface Area:
66.37HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4089219
Name:
3-Chloro-4-fluoro-N-(5-isopropylisoxazol-3-yl)benzamideMol. Formula:
C13H12ClFN2O2M.W.:
282.70Type:
Small moleculeAlogP:
3.84Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS - ALA4088143
Name:
1-(adamantan-1-ylmethyl)-2-cyano-3-(pyridin-3-ylmethyl)guanidineMol. Formula:
C19H25N5M.W.:
323.44Type:
Small moleculeAlogP:
2.81Polar Surface Area:
73.10HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4087778
Name:
N-(3-Hydroxyimino-5beta-cholan-24-oyl)-L-beta-homo-tryptophanMol. Formula:
C36H51N3O4M.W.:
589.82Type:
Small moleculeAlogP:
7.58Polar Surface Area:
114.78HBA:
4HBD:
4#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA4084182
Name:
1-(4-chlorophenyl)-3-(3-(4-fluorophenoxy)propyl)guanidineMol. Formula:
C16H17ClFN3OM.W.:
321.78Type:
Small moleculeAlogP:
3.88Polar Surface Area:
57.14HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA4081345
Name:
Indolin-1-yl(5-isopropylisoxazol-3-yl)methanoneMol. Formula:
C15H16N2O2M.W.:
256.30Type:
Small moleculeAlogP:
3.00Polar Surface Area:
46.34HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4078429
Name:
N-(3alpha-Carbamoyloxy-5beta-cholan-24-oyl)-L-beta-homo-tryptophanMol. Formula:
C37H53N3O5M.W.:
619.85Type:
Small moleculeAlogP:
7.21Polar Surface Area:
134.51HBA:
4HBD:
4#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
3.21Polar Surface Area:
99.25HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
4.56Polar Surface Area:
116.40HBA:
4HBD:
4#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.23DETAILS
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