Type:
Small moleculeAlogP:
5.83Polar Surface Area:
42.74HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILSType:
Small moleculeAlogP:
5.98Polar Surface Area:
51.97HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILSType:
Small moleculeAlogP:
4.21Polar Surface Area:
52.19HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILSType:
Small moleculeAlogP:
2.94Polar Surface Area:
91.41HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.55DETAILSType:
Small moleculeAlogP:
2.06Polar Surface Area:
56.37HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS- ALA3972355
Name:
BC11-15::US9173884, BC11-15Cas Number:
565195-37-1Mol. Formula:
C23H24N4OSM.W.:
404.54Type:
Small moleculeAlogP:
5.25Polar Surface Area:
51.02HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS Type:
Small moleculeAlogP:
6.79Polar Surface Area:
42.74HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILSType:
Small moleculeAlogP:
3.74Polar Surface Area:
105.40HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.55DETAILSType:
Small moleculeAlogP:
2.46Polar Surface Area:
65.60HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILSType:
Small moleculeAlogP:
2.38Polar Surface Area:
94.65HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.48DETAILS- ALA3955950
Name:
BC11-38-1::US9173884, BC11-38-1Cas Number:
686770-81-0Mol. Formula:
C16H18N2OS2M.W.:
318.47Type:
Small moleculeAlogP:
3.77Polar Surface Area:
34.89HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA3950652
Name:
BC11-38-3::US9173884, BC11-38-3Cas Number:
686771-64-2Mol. Formula:
C16H18N2OS2M.W.:
318.47Type:
Small moleculeAlogP:
3.69Polar Surface Area:
34.89HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS Type:
Small moleculeAlogP:
5.84Polar Surface Area:
42.74HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILSType:
Small moleculeAlogP:
4.24Polar Surface Area:
105.16HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.47DETAILSType:
Small moleculeAlogP:
5.97Polar Surface Area:
42.74HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILSType:
Small moleculeAlogP:
4.02Polar Surface Area:
99.61HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.50DETAILSType:
Small moleculeAlogP:
3.00Polar Surface Area:
108.40HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.46DETAILS- ALA3935458
Name:
US9173884, BC11-19-5Cas Number:
522652-41-1Mol. Formula:
C16H10ClN3O3SM.W.:
359.79Type:
Small moleculeAlogP:
2.72Polar Surface Area:
65.60HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA3928332
Name:
BC11-38::US9173884, BC11-38Cas Number:
686770-80-9Mol. Formula:
C15H16N2OS2M.W.:
304.44Type:
Small moleculeAlogP:
3.38Polar Surface Area:
34.89HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3919432
Name:
BC11-38-2::US9173884, BC11-38-2Cas Number:
686770-82-1Mol. Formula:
C16H18N2OS2M.W.:
318.47Type:
Small moleculeAlogP:
3.77Polar Surface Area:
34.89HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS