Molecular Properties | |
SMILES: | Cn1ccn(C(Cc2c[nH]c3cc(F)ccc23)C(=O)O)c1=[Au+]Cl |
MW: | 519.04 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 62.95 |
cLogP: | 3.08 |
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-4f39ef4a-26
0.707
MAR-TRE-4f39ef4a-5
0.653
MAR-TRE-4f39ef4a-31
0.628
MAR-TRE-4f39ef4a-51
0.615
MAR-TRE-4f39ef4a-57
0.608
MAR-TRE-4f39ef4a-34
0.585
MAR-TRE-4f39ef4a-11
0.520
MAR-TRE-4f39ef4a-9
0.494
MAR-TRE-4f39ef4a-54
0.493
MAR-TRE-4f39ef4a-13
0.487
MAR-TRE-4f39ef4a-21
0.462
MAR-TRE-4f39ef4a-40
0.461
MAR-TRE-4f39ef4a-48
0.455
MAR-TRE-4f39ef4a-44
0.455
MAR-TRE-4f39ef4a-30
0.450
MAR-TRE-4f39ef4a-24
0.444
MAR-TRE-85681e92-64
0.442
MAR-TRE-4f39ef4a-32
0.442
MAR-TRE-4f39ef4a-10
0.438
MAR-TRE-4f39ef4a-86
0.416
MAR-TRE-4f39ef4a-29
0.410
MAR-TRE-4f39ef4a-78
0.408
MAR-TRE-4f39ef4a-89
0.408
MAR-TRE-799db12b-12
0.402
MAR-TRE-4f39ef4a-62
0.392
MAR-TRE-4f39ef4a-35
0.388
MAR-TRE-4f39ef4a-61
0.380
MAR-TRE-4f39ef4a-68
0.378
MAR-TRE-4f39ef4a-67
0.378
MAR-TRE-4f39ef4a-83
0.376
MAR-TRE-d3c2bf0e-26
0.352
MAR-TRE-4f39ef4a-52
0.349
DEN-EUR-293438d2-1
0.333
MAR-TRE-d3c2bf0e-12
0.325
MAR-TRE-d3c2bf0e-46
0.324
MAR-TRE-d3c2bf0e-19
0.322
MAR-TRE-4f39ef4a-76
0.321
MAR-TRE-4f39ef4a-66
0.321
MAR-TRE-d3c2bf0e-22
0.319
MAR-TRE-4f39ef4a-63
0.318
MAR-TRE-4f39ef4a-90
0.310
MAR-TRE-d3c2bf0e-28
0.307
MAR-TRE-d3c2bf0e-44
0.306
MAR-TRE-4f39ef4a-59
0.305
MAR-TRE-4f39ef4a-15
0.302
MAR-TRE-d3c2bf0e-11
0.293
MAR-TRE-d3c2bf0e-45
0.286
MAR-TRE-4f39ef4a-88
0.282
ABI-SAT-30e287c1-2
0.279
MAR-TRE-85681e92-60
0.278
MAR-TRE-4f39ef4a-14
0.273
AAR-POS-d2a4d1df-2
0.273
SAN-PRS-3c4a6997-4
0.273
MAR-TRE-4f39ef4a-22
0.269
MAR-TRE-4f39ef4a-12
0.267
MAR-UCB-195bc32d-4
0.267
MAR-TRE-d3c2bf0e-40
0.267
MAR-TRE-4f39ef4a-18
0.266
MAR-TRE-d3c2bf0e-32
0.266
NAU-LAT-81109c57-1
0.266
MAR-TRE-4f39ef4a-23
0.264
MAR-TRE-4f39ef4a-16
0.263
MAR-TRE-d3c2bf0e-25
0.260
MAR-TRE-4f39ef4a-6
0.256
MAR-TRE-4f39ef4a-25
0.255
MAR-TRE-d3c2bf0e-74
0.253
MAR-TRE-4f39ef4a-74
0.253
MAR-TRE-4f39ef4a-39
0.253
NAU-LAT-81109c57-4
0.252
MAK-UNK-be5ffcbc-8
0.250
MAR-TRE-4f39ef4a-69
0.250
MAR-TRE-d3c2bf0e-14
0.250
MAR-TRE-be9ff7d2-10
0.248
MAR-TRE-4f39ef4a-75
0.247
MAR-TRE-d3c2bf0e-43
0.247
MAT-POS-590ac91e-32
0.245
WIL-UNI-1faa9b10-29
0.243
MAR-TRE-f5c2d31c-47
0.242
MAR-TRE-4f39ef4a-20
0.242
MAR-TRE-4f39ef4a-71
0.241
DAR-DIA-eace69ff-36
0.241
MAR-TRE-d3c2bf0e-80
0.241
MAR-TRE-7f7bb9f0-83
0.239
MAR-TRE-4f39ef4a-53
0.238
MAK-UNK-be5ffcbc-1
0.238
JOH-MSK-a63bdd1d-1
0.237
MAK-UNK-37f1d6fa-2
0.236
NIC-BIO-b40446ce-1
0.236
MAR-TRE-85681e92-33
0.235
MAK-UNK-10572812-3
0.232
MAK-UNK-be5ffcbc-7
0.231
MAR-TRE-85681e92-45
0.230
MAR-TRE-4f39ef4a-28
0.230
MAR-TRE-4f39ef4a-80
0.230
MAT-POS-590ac91e-40
0.229
NAU-LAT-81109c57-8
0.229
MAR-TRE-85681e92-38
0.228
NIC-BIO-3276ca7f-2
0.228
MAK-UNK-10572812-16
0.228
MAK-UNK-be5ffcbc-3
0.226