Molecular Properties | |
SMILES: | Cn1ccn(C(Cc2ccc(N)cc2)C(=O)O)c1=[Au+]Cl |
MW: | 477.05 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 73.18 |
cLogP: | 2.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
contains_metal
halogen_heteroatom
aniline
Halogen-bonded heteroatoms
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
aniline
unacceptable atoms
analine
Undesirable_Elements_Salts
MAR-TRE-4f39ef4a-40
0.732
MAR-TRE-4f39ef4a-24
0.635
MAR-TRE-4f39ef4a-21
0.613
MAR-TRE-4f39ef4a-30
0.594
MAR-TRE-4f39ef4a-13
0.594
MAR-TRE-4f39ef4a-32
0.590
MAR-TRE-4f39ef4a-10
0.578
MAR-TRE-4f39ef4a-52
0.545
MAR-TRE-4f39ef4a-54
0.531
MAR-TRE-4f39ef4a-48
0.531
MAR-TRE-4f39ef4a-78
0.525
MAR-TRE-4f39ef4a-11
0.515
MAR-TRE-4f39ef4a-86
0.508
MAR-TRE-4f39ef4a-67
0.500
MAR-TRE-4f39ef4a-68
0.500
MAR-TRE-4f39ef4a-62
0.500
MAR-TRE-4f39ef4a-89
0.500
MAR-TRE-4f39ef4a-35
0.492
MAR-TRE-4f39ef4a-5
0.467
MAR-TRE-4f39ef4a-61
0.462
MAR-TRE-4f39ef4a-51
0.455
MAR-TRE-4f39ef4a-50
0.455
MAR-TRE-4f39ef4a-29
0.451
MAR-TRE-4f39ef4a-31
0.449
MAR-TRE-4f39ef4a-57
0.449
MAR-TRE-4f39ef4a-26
0.443
MAR-TRE-4f39ef4a-34
0.432
MAR-TRE-4f39ef4a-83
0.411
MAR-TRE-d3c2bf0e-46
0.400
MAR-TRE-d3c2bf0e-22
0.397
MAR-TRE-d3c2bf0e-12
0.391
MAR-TRE-d3c2bf0e-26
0.390
MAR-TRE-4f39ef4a-66
0.388
MAR-TRE-d3c2bf0e-44
0.379
MAR-TRE-4f39ef4a-63
0.378
MAR-TRE-4f39ef4a-9
0.378
MAR-TRE-d3c2bf0e-28
0.377
MAR-TRE-4f39ef4a-88
0.377
MAR-TRE-4f39ef4a-90
0.370
MAR-TRE-4f39ef4a-59
0.368
MAR-TRE-d3c2bf0e-75
0.365
MAR-TRE-4f39ef4a-25
0.362
MAR-TRE-d3c2bf0e-11
0.353
MAR-TRE-d3c2bf0e-45
0.349
MAR-TRE-4f39ef4a-23
0.333
MAR-TRE-d3c2bf0e-74
0.328
MAR-TRE-d3c2bf0e-14
0.328
MAR-TRE-d3c2bf0e-25
0.322
MAR-TRE-4f39ef4a-6
0.320
MAR-TRE-4f39ef4a-22
0.316
MAR-TRE-4f39ef4a-74
0.316
MAR-TRE-4f39ef4a-41
0.316
MAR-TRE-87acfbcc-51
0.316
MAR-TRE-4f39ef4a-69
0.315
MAR-TRE-4f39ef4a-76
0.311
MAR-TRE-4f39ef4a-14
0.307
MAR-TRE-d3c2bf0e-40
0.306
MAR-TRE-4f39ef4a-15
0.306
MAR-TRE-85681e92-74
0.306
MAR-TRE-d3c2bf0e-43
0.302
MAR-TRE-4f39ef4a-27
0.299
MAR-TRE-d3c2bf0e-80
0.292
MAR-TRE-4f39ef4a-82
0.291
MAR-TRE-d3c2bf0e-59
0.288
MAR-TRE-4f39ef4a-45
0.287
MAR-TRE-4f39ef4a-55
0.287
MAR-TRE-4f39ef4a-53
0.286
MAR-TRE-d3c2bf0e-71
0.286
MAR-TRE-4f39ef4a-18
0.280
MAR-TRE-4f39ef4a-39
0.280
MAR-TRE-4f39ef4a-75
0.278
MAR-TRE-4f39ef4a-80
0.274
MAR-TRE-d3c2bf0e-50
0.273
MAR-TRE-4f39ef4a-71
0.270
MAR-TRE-4f39ef4a-20
0.269
MAR-TRE-d3c2bf0e-3
0.268
MAR-TRE-d3c2bf0e-39
0.268
MAR-TRE-e86a56b5-6
0.267
MAR-TRE-e86a56b5-15
0.267
MAR-TRE-e86a56b5-21
0.267
MAR-TRE-4f39ef4a-12
0.267
MAR-TRE-4f39ef4a-58
0.266
MAR-TRE-d3c2bf0e-60
0.265
MAR-TRE-e86a56b5-39
0.264
MAR-TRE-e86a56b5-37
0.263
MAR-TRE-4f39ef4a-16
0.262
MAR-TRE-4f39ef4a-87
0.260
MAR-TRE-e86a56b5-11
0.260
MAR-TRE-4f39ef4a-43
0.257
MAR-TRE-d3c2bf0e-52
0.254
MAR-TRE-d3c2bf0e-66
0.253
MAR-TRE-4f39ef4a-1
0.253
MAR-TRE-4f39ef4a-28
0.253
MAR-TRE-4f39ef4a-84
0.253
MAR-TRE-d3c2bf0e-18
0.250
MAR-SOS-c7881798-1
0.247
MAR-SOS-82e3a7c7-11
0.247
MAR-TRE-4f39ef4a-72
0.247
MAR-TRE-d3c2bf0e-33
0.246
MAR-TRE-d3c2bf0e-8
0.246