Type:
Small moleculeAlogP:
4.51Polar Surface Area:
61.36HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
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
Type:
Small moleculeAlogP:
3.87Polar Surface Area:
46.34HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS
ALA4101940Name:
3-(Pyridin-3-yl)-5-(trifluoromethyl)benzoic AcidCas Number:
1214340-73-4Mol. 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:
3.24Polar Surface Area:
66.37HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
3.84Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS -
Type:
Small moleculeAlogP:
2.81Polar Surface Area:
73.10HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
7.58Polar Surface Area:
114.78HBA:
4HBD:
4#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
4.83Polar Surface Area:
86.36HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
3.03Polar Surface Area:
145.19HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
5.06Polar Surface Area:
101.08HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
2.20Polar Surface Area:
86.33HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
2.25Polar Surface Area:
144.40HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
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 -
Type:
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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