Type:
Small moleculeAlogP:
1.99Polar Surface Area:
162.06HBA:
6HBD:
5#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
Small moleculeAlogP:
2.77Polar Surface Area:
162.06HBA:
6HBD:
5#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.18DETAILS
Type:
Small moleculeAlogP:
2.38Polar Surface Area:
162.06HBA:
6HBD:
5#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
Small moleculeAlogP:
1.60Polar Surface Area:
162.06HBA:
6HBD:
5#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.22DETAILS
ALA3665969Name:
US8785477, VildagliptinCas Number:
1360862-63-0Mol. Formula:
C17H25N3O2M.W.:
303.41Type:
Small moleculeAlogP:
1.17Polar Surface Area:
76.36HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS-
Type:
Small moleculeAlogP:
2.14Polar Surface Area:
100.78HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
2.47Polar Surface Area:
66.64HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
1.73Polar Surface Area:
90.43HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
1.83Polar Surface Area:
66.64HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
2.17Polar Surface Area:
66.64HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
1.58Polar Surface Area:
69.88HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
1.53Polar Surface Area:
49.57HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA3185489
Name:
US8785477, SitagliptinCas Number:
823817-56-7Mol. Formula:
C16H15F6N5OM.W.:
407.32Type:
Small moleculeAlogP:
2.02Polar Surface Area:
77.04HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
1.57Polar Surface Area:
56.64HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
0.96Polar Surface Area:
108.25HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
0.28Polar Surface Area:
114.87HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
0.28Polar Surface Area:
114.87HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
3.01Polar Surface Area:
81.42HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
-0.03Polar Surface Area:
66.64HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
3.06Polar Surface Area:
78.67HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS
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