Type:
Small moleculeAlogP:
2.85Polar Surface Area:
87.45HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
3.52Polar Surface Area:
48.53HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
UnknownAlogP:
2.38Polar Surface Area:
54.46HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.83DETAILS
ALA4541411Name:
(2E)-2-Cyano-3-(2,4-dichlorophenyl)-2-butenamideMol. Formula:
C11H8Cl2N2OM.W.:
255.10Type:
UnknownAlogP:
2.78Polar Surface Area:
66.88HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS
ALA4541102Name:
(2E)-3-(2,4-Dichlorophenyl)-2-methylacrylonitrileMol. Formula:
C10H7Cl2NM.W.:
212.08Type:
UnknownAlogP:
3.92Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS-
Type:
---AlogP:
1.95Polar Surface Area:
49.39HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4560044
Name:
[1-(2,4-Dichlorophenyl)ethylidene]malononitrileMol. Formula:
C11H6Cl2N2M.W.:
237.09Type:
UnknownAlogP:
3.81Polar Surface Area:
47.58HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4555553
Name:
(R)-(+)-2-(4-Chloro-2-methylphenoxy)propanenitrileMol. Formula:
C10H10ClNOM.W.:
195.65Type:
UnknownAlogP:
2.94Polar Surface Area:
33.02HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.73DETAILS - ALA4551759
Name:
rac-2-(2-Chloro-4-methylphenoxy)propanenitrileMol. Formula:
C10H10ClNOM.W.:
195.65Type:
UnknownAlogP:
2.94Polar Surface Area:
33.02HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
3.58Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4534572
Name:
rac-5-(1-(2,4-Dichlorophenoxy)ethyl)-1H-tetrazoleMol. Formula:
C9H8Cl2N4OM.W.:
259.10Type:
UnknownAlogP:
2.65Polar Surface Area:
63.69HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.92DETAILS -
Type:
UnknownAlogP:
3.35Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
UnknownAlogP:
2.78Polar Surface Area:
66.88HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4529250
Name:
(2Z)-3-(2,4-Dichlorophenyl)-2-methylacrylonitrileMol. Formula:
C10H7Cl2NM.W.:
212.08Type:
UnknownAlogP:
3.92Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4527239
Name:
rac-2-(4-Chloro-2-methylphenoxy)propanenitrileMol. Formula:
C10H10ClNOM.W.:
195.65Type:
UnknownAlogP:
2.94Polar Surface Area:
33.02HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.73DETAILS - ALA4476362
Name:
rac-3-(2,4-Dichlorophenyl)-2-methylpropanenitrileMol. Formula:
C10H9Cl2NM.W.:
214.09Type:
UnknownAlogP:
3.70Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
3.92Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
4.01Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA4543496
Name:
(2Z)-2-Cyano-3-(2,4-dichlorophenyl)-2-butenamideMol. Formula:
C11H8Cl2N2OM.W.:
255.10Type:
UnknownAlogP:
2.78Polar Surface Area:
66.88HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
1.85Polar Surface Area:
45.79HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.63DETAILS
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