Type:
Small moleculeAlogP:
2.88Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.76DETAILS
Type:
Small moleculeAlogP:
2.75Polar Surface Area:
90.55HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
Small moleculeAlogP:
3.64Polar Surface Area:
66.76HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS
Type:
Small moleculeAlogP:
2.88Polar Surface Area:
66.76HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
Small moleculeAlogP:
1.70Polar Surface Area:
107.22HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS-
Type:
Small moleculeAlogP:
2.84Polar Surface Area:
72.83HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA384823
Name:
sodium 4-methoxy-3H-spiro[1-benzofuran-2,1'-cyclohexane]-6-carboxylateMol. Formula:
C15H17NaO4M.W.:
284.29Type:
Small moleculeAlogP:
3.03Polar Surface Area:
55.76HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA214540
Name:
sodium 4-methoxy-3H-spiro[1-benzofuran-2,1'-cyclohexane]-7-carboxylateMol. Formula:
C15H17NaO4M.W.:
284.29Type:
Small moleculeAlogP:
3.03Polar Surface Area:
55.76HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
Small moleculeAlogP:
3.09Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
3.09Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
12.88Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
2#Rotatable Bonds:
35Passes Ro3:
NQED Weighted:
0.05DETAILS - ALA381324
Name:
1,12-Bis(N-butylpyrrolidinium)dodecane dichlorideMol. Formula:
C28H58Cl2N2M.W.:
493.69Type:
Small moleculeAlogP:
7.71Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
1#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
15.28Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
2#Rotatable Bonds:
35Passes Ro3:
NQED Weighted:
0.05DETAILS - ALA202870
Name:
1,12-Bis(tributyl phosphonium)dodecane dibromideMol. Formula:
C36H78Br2P2M.W.:
732.78Type:
Small moleculeAlogP:
13.72Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
2#Rotatable Bonds:
31Passes Ro3:
NQED Weighted:
0.06DETAILS - ALA369904
Name:
10-methyl-1-(4-nitrophenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indoleMol. Formula:
C18H17N3O2M.W.:
307.35Type:
Small moleculeAlogP:
3.55Polar Surface Area:
60.10HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA370419
Name:
10-methyl-1-p-tolyl-1,2,3,4-tetrahydropyrazino[1,2-a]indoleMol. Formula:
C19H20N2M.W.:
276.38Type:
Small moleculeAlogP:
3.95Polar Surface Area:
16.96HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS
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