Type:
UnknownAlogP:
2.29Polar Surface Area:
69.04HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
UnknownAlogP:
2.11Polar Surface Area:
60.45HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS
Type:
UnknownAlogP:
2.11Polar Surface Area:
64.11HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS
ALA4475341Name:
N-(3-Isoquinolyl)-2-(2-methylphenoxy)acetamideMol. Formula:
C18H16N2O2M.W.:
292.34Type:
UnknownAlogP:
3.56Polar Surface Area:
51.22HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
UnknownAlogP:
3.94Polar Surface Area:
56.15HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS-
Type:
UnknownAlogP:
1.80Polar Surface Area:
64.11HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
UnknownAlogP:
2.90Polar Surface Area:
56.15HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4560510
Name:
2-(2-Methylphenoxy)-N-(3-pyridylmethyl)acetamideMol. Formula:
C15H16N2O2M.W.:
256.31Type:
UnknownAlogP:
2.09Polar Surface Area:
51.22HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
UnknownAlogP:
2.44Polar Surface Area:
54.02HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA4558863
Name:
N-(6-Isoquinolyl)-2-(3-methylphenoxy)acetamideMol. Formula:
C18H16N2O2M.W.:
292.34Type:
UnknownAlogP:
3.56Polar Surface Area:
51.22HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4553417
Name:
2-(2-Methylphenoxy)-N-(7-quinazolinyl)acetamideMol. Formula:
C17H15N3O2M.W.:
293.33Type:
UnknownAlogP:
2.96Polar Surface Area:
64.11HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4568069
Name:
2-(2,6-Dimethylphenoxy)-N-(3-pyridyl)acetamideCas Number:
496810-53-8Mol. Formula:
C15H16N2O2M.W.:
256.31Type:
UnknownAlogP:
2.72Polar Surface Area:
51.22HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4525905
Name:
2-(2-Chlorophenoxy)-N-(6-isoquinolyl)acetamideMol. Formula:
C17H13ClN2O2M.W.:
312.76Type:
UnknownAlogP:
3.91Polar Surface Area:
51.22HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
UnknownAlogP:
3.56Polar Surface Area:
51.22HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4745403
Name:
5-(4-Nitrophenyl)-1,3,4-oxadiazol-2(3H)-oneCas Number:
41125-77-3Mol. Formula:
C8H5N3O4M.W.:
207.15Type:
UnknownAlogP:
0.94Polar Surface Area:
102.03HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
0.90Polar Surface Area:
82.68HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4743342
Name:
(+/-)-1-(4-Chlorophenyl)-1H-pyrazoleCas Number:
25419-86-7Mol. Formula:
C9H7ClN2M.W.:
178.62Type:
UnknownAlogP:
2.53Polar Surface Area:
17.82HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
1.72Polar Surface Area:
50.94HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
UnknownAlogP:
2.45Polar Surface Area:
38.05HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.78DETAILS - ALA4743027
Name:
5-(3-Methylphenyl)-1,3,4-oxadiazol-2(3H)-oneCas Number:
119933-33-4Mol. Formula:
C9H8N2O2M.W.:
176.17Type:
UnknownAlogP:
1.34Polar Surface Area:
58.89HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.71DETAILS
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