Type:
Small moleculeAlogP:
3.68Polar Surface Area:
77.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
Small moleculeAlogP:
5.76Polar Surface Area:
77.51HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
Small moleculeAlogP:
5.25Polar Surface Area:
77.51HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
Small moleculeAlogP:
5.02Polar Surface Area:
120.65HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
Small moleculeAlogP:
5.42Polar Surface Area:
77.51HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS- ALA1089066
Name:
4-Pregnen-21-ol-3,20-dione-21-(4-benzenesufonate)Mol. Formula:
C27H34O5SM.W.:
470.63Type:
Small moleculeAlogP:
5.11Polar Surface Area:
77.51HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA1088935
Name:
methyl-p-toluene sulfonateCas Number:
59203-01-9Mol. Formula:
C8H10O2SM.W.:
170.23Type:
Small moleculeAlogP:
1.40Polar Surface Area:
34.14HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
7.49Polar Surface Area:
42.21HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
5.00Polar Surface Area:
49.31HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
3.21Polar Surface Area:
167.66HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
1.26Polar Surface Area:
145.10HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
1.99Polar Surface Area:
103.70HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
0.71Polar Surface Area:
78.04HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
1.95Polar Surface Area:
71.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
3.40Polar Surface Area:
92.41HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
2.57Polar Surface Area:
95.94HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
3.42Polar Surface Area:
83.56HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
3.75Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
2.29Polar Surface Area:
80.68HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
3.34Polar Surface Area:
96.53HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.57DETAILS
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