ALA4476621Name:
4-(3,4-Dichlorophenyl)-1-(2-hydroxybenzoyl)-3-thiosemicarbazideMol. Formula:
C14H11Cl2N3O2SM.W.:
356.23Type:
UnknownAlogP:
3.33Polar Surface Area:
73.39HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
5.10Polar Surface Area:
74.16HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
Small moleculeAlogP:
2.84Polar Surface Area:
102.23HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
Small moleculeAlogP:
4.96Polar Surface Area:
74.16HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS-
Type:
Small moleculeAlogP:
4.17Polar Surface Area:
64.93HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.30Polar Surface Area:
82.00HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
5.09Polar Surface Area:
64.93HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
4.90Polar Surface Area:
82.00HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
5.74Polar Surface Area:
64.93HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
4.60Polar Surface Area:
82.00HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
3.39Polar Surface Area:
64.93HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
4.15Polar Surface Area:
64.93HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
3.34Polar Surface Area:
82.00HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS -
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:
1.99Polar Surface Area:
162.06HBA:
6HBD:
5#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.21DETAILS -
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 -
Type:
Small moleculeAlogP:
1.24Polar Surface Area:
98.23HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA3350294
Name:
2-(1-Carboxymethyl-2-oxo-azocan-3-ylamino)-4-phenyl-butyric acidMol. Formula:
C19H26N2O5M.W.:
362.43Type:
Small moleculeAlogP:
1.52Polar Surface Area:
106.94HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.65DETAILS
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