Type:
UnknownAlogP:
3.68Polar Surface Area:
106.54HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
4.84Polar Surface Area:
182.83HBA:
13HBD:
5#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
UnknownAlogP:
3.07Polar Surface Area:
119.43HBA:
10HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
---AlogP:
2.90Polar Surface Area:
58.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
10.43Polar Surface Area:
116.76HBA:
5HBD:
4#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
0.79Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
1.05Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
-0.13Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
-0.52Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
1.18Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
-0.13Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
0.03Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
0.26Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
4.72Polar Surface Area:
39.58HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA3822751
Name:
2-Phenyl-3-thiocyanato-1H-indoleCas Number:
66354-68-5Mol. Formula:
C15H10N2SM.W.:
250.33Type:
Small moleculeAlogP:
4.41Polar Surface Area:
39.58HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
4.86Polar Surface Area:
28.72HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA3822941
Name:
1-methyl-3-thiocyanato-1H-indoleCas Number:
23518-17-4Mol. Formula:
C10H8N2SM.W.:
188.25Type:
Small moleculeAlogP:
2.75Polar Surface Area:
28.72HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.51DETAILS
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