Molecular Properties | |
SMILES: | CC(=O)NCCn1ccn(CCNC(C)=O)c1=[Au+]Cl |
MW: | 470.08 |
Fraction sp3: | 0.55 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 68.06 |
cLogP: | 0.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
contains_metal
halogen_heteroatom
Halogen-bonded heteroatoms
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
unacceptable atoms
Undesirable_Elements_Salts
MAR-TRE-d3c2bf0e-76
0.455
MAR-TRE-d3c2bf0e-82
0.413
MAR-TRE-d3c2bf0e-21
0.412
MAR-TRE-d3c2bf0e-36
0.408
MAR-TRE-d3c2bf0e-15
0.408
MAR-TRE-d3c2bf0e-65
0.396
MAR-TRE-d3c2bf0e-47
0.392
MAR-TRE-d3c2bf0e-3
0.382
MAR-TRE-d3c2bf0e-37
0.378
MAR-TRE-d3c2bf0e-63
0.378
MAR-TRE-4f39ef4a-74
0.365
MAR-TRE-d3c2bf0e-1
0.364
MAR-TRE-d3c2bf0e-75
0.358
MAR-TRE-d3c2bf0e-58
0.354
MAR-TRE-4f39ef4a-82
0.354
MAR-TRE-4f39ef4a-45
0.348
MAR-TRE-d3c2bf0e-59
0.340
MAR-TRE-d3c2bf0e-73
0.340
MAR-TRE-d3c2bf0e-62
0.339
MAR-TRE-d3c2bf0e-17
0.333
MAR-TRE-d3c2bf0e-54
0.328
MAR-TRE-4f39ef4a-88
0.328
MAR-TRE-4f39ef4a-69
0.323
MAR-TRE-d3c2bf0e-34
0.321
MAR-TRE-d3c2bf0e-64
0.316
MAR-TRE-d3c2bf0e-22
0.314
MAR-TRE-d3c2bf0e-71
0.314
MAR-TRE-d3c2bf0e-29
0.310
MAR-TRE-d3c2bf0e-60
0.309
MAR-TRE-4f39ef4a-68
0.308
MAR-TRE-4f39ef4a-6
0.308
MAR-TRE-d3c2bf0e-26
0.308
MAR-TRE-4f39ef4a-67
0.308
MAR-TRE-d3c2bf0e-43
0.308
MAR-TRE-d3c2bf0e-77
0.308
MAR-TRE-4f39ef4a-61
0.306
MAR-TRE-d3c2bf0e-25
0.306
MAR-TRE-4f39ef4a-23
0.302
MAR-TRE-d3c2bf0e-67
0.300
MAR-TRE-d3c2bf0e-42
0.298
MAR-TRE-d3c2bf0e-79
0.298
MAR-TRE-d3c2bf0e-18
0.298
MAR-TRE-d3c2bf0e-72
0.298
MAR-TRE-4f39ef4a-32
0.297
MAR-TRE-d3c2bf0e-80
0.296
MAR-TRE-d3c2bf0e-50
0.296
MAR-TRE-d3c2bf0e-28
0.296
MAR-TRE-d3c2bf0e-46
0.296
MAR-TRE-4f39ef4a-59
0.295
MAR-TRE-d3c2bf0e-44
0.294
MAR-TRE-4f39ef4a-56
0.292
MAR-TRE-d3c2bf0e-74
0.291
MAR-TRE-d3c2bf0e-78
0.289
MAR-TRE-d3c2bf0e-14
0.288
MAR-TRE-d3c2bf0e-40
0.288
MAR-TRE-4f39ef4a-12
0.286
MAR-TRE-4f39ef4a-28
0.284
MAR-TRE-4f39ef4a-25
0.284
MAR-TRE-d3c2bf0e-19
0.282
MAR-TRE-d3c2bf0e-32
0.282
MAR-TRE-4f39ef4a-87
0.279
MAR-TRE-4f39ef4a-15
0.276
MAR-TRE-4f39ef4a-89
0.274
MAR-TRE-4f39ef4a-78
0.274
ANT-DIA-b7f58f21-4
0.269
MAR-TRE-d3c2bf0e-81
0.269
SAN-PRS-3c4a6997-3
0.269
MAR-TRE-d3c2bf0e-45
0.268
MAR-TRE-d3c2bf0e-70
0.268
MAR-TRE-4f39ef4a-86
0.266
SIM-DEM-5935bd74-8
0.265
MAR-TRE-4f39ef4a-90
0.265
MAR-TRE-d3c2bf0e-31
0.263
MAR-TRE-4f39ef4a-62
0.262
MAR-TRE-d3c2bf0e-12
0.262
MAR-TRE-4f39ef4a-16
0.260
MAR-TRE-d3c2bf0e-38
0.260
MAR-TRE-d3c2bf0e-48
0.260
MAR-TRE-d3c2bf0e-13
0.259
MAR-TRE-4f39ef4a-75
0.258
MAR-TRE-d3c2bf0e-7
0.258
MAR-TRE-4f39ef4a-35
0.258
MAR-TRE-4f39ef4a-40
0.258
MAR-TRE-4f39ef4a-13
0.257
MAR-TRE-4f39ef4a-30
0.257
MAR-TRE-4f39ef4a-52
0.257
DUN-NEW-f8ce3686-9
0.256
MAR-TRE-4f39ef4a-66
0.254
MAR-TRE-d3c2bf0e-10
0.254
MAR-TRE-4f39ef4a-80
0.254
MAR-TRE-4f39ef4a-44
0.254
MAR-TRE-4f39ef4a-48
0.254
MAR-TRE-4f39ef4a-54
0.254
MAR-TRE-4f39ef4a-83
0.254
MAR-TRE-4f39ef4a-55
0.254
MAR-TRE-d3c2bf0e-9
0.250
MAR-TRE-4f39ef4a-20
0.250
MAR-TRE-d3c2bf0e-51
0.250
WIL-LEE-23e8b574-2
0.250
MAR-TRE-4f39ef4a-70
0.250