Molecular Properties | |
SMILES: | Cn1ccn(C(Cc2cccc(O)c2)C(=O)O)c1=[Au+]Cl |
MW: | 478.04 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 67.39 |
cLogP: | 2.17 |
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-40
0.639
MAR-TRE-4f39ef4a-21
0.635
MAR-TRE-4f39ef4a-24
0.631
MAR-TRE-4f39ef4a-30
0.615
MAR-TRE-4f39ef4a-13
0.615
MAR-TRE-4f39ef4a-32
0.587
MAR-TRE-4f39ef4a-44
0.578
MAR-TRE-4f39ef4a-11
0.515
MAR-TRE-4f39ef4a-48
0.507
MAR-TRE-4f39ef4a-54
0.507
MAR-TRE-4f39ef4a-62
0.500
MAR-TRE-4f39ef4a-52
0.500
MAR-TRE-4f39ef4a-31
0.487
MAR-TRE-4f39ef4a-78
0.477
MAR-TRE-4f39ef4a-89
0.477
MAR-TRE-4f39ef4a-5
0.468
MAR-TRE-4f39ef4a-86
0.463
MAR-TRE-4f39ef4a-29
0.452
MAR-TRE-4f39ef4a-35
0.449
MAR-TRE-4f39ef4a-61
0.441
MAR-TRE-4f39ef4a-50
0.438
MAR-TRE-4f39ef4a-51
0.438
MAR-TRE-4f39ef4a-67
0.437
MAR-TRE-4f39ef4a-68
0.437
MAR-TRE-4f39ef4a-57
0.432
MAR-TRE-4f39ef4a-26
0.427
MAR-TRE-4f39ef4a-34
0.417
MAR-TRE-4f39ef4a-66
0.412
MAR-TRE-4f39ef4a-83
0.395
MAR-TRE-4f39ef4a-63
0.382
MAR-TRE-d3c2bf0e-46
0.381
MAR-TRE-4f39ef4a-9
0.381
MAR-TRE-d3c2bf0e-22
0.377
MAR-TRE-d3c2bf0e-11
0.377
MAR-TRE-d3c2bf0e-12
0.375
MAR-TRE-4f39ef4a-58
0.373
MAR-TRE-d3c2bf0e-26
0.371
MAR-TRE-d3c2bf0e-44
0.361
MAR-TRE-d3c2bf0e-28
0.359
MAR-TRE-4f39ef4a-59
0.352
MAR-TRE-4f39ef4a-25
0.349
MAR-TRE-4f39ef4a-90
0.338
MAR-TRE-d3c2bf0e-45
0.333
MAR-TRE-4f39ef4a-88
0.324
MAR-TRE-4f39ef4a-23
0.320
MAR-TRE-92684b97-47
0.317
MAR-TRE-4f39ef4a-76
0.316
MAR-TRE-d3c2bf0e-10
0.315
MAR-TRE-aca67d11-84
0.313
MAR-TRE-4f39ef4a-14
0.312
MAR-TRE-4f39ef4a-6
0.308
MAR-TRE-d3c2bf0e-25
0.306
MAR-TRE-4f39ef4a-41
0.304
MAR-TRE-4f39ef4a-69
0.303
MAR-TRE-4f39ef4a-15
0.295
MAR-TRE-d3c2bf0e-74
0.294
MAR-TRE-d3c2bf0e-14
0.292
MAR-TRE-d3c2bf0e-40
0.292
MAR-TRE-4f39ef4a-53
0.292
MAR-TRE-4f39ef4a-22
0.289
MAR-TRE-d3c2bf0e-43
0.288
MAR-TRE-4f39ef4a-74
0.287
MAR-TRE-4f39ef4a-27
0.287
MAR-TRE-4f39ef4a-18
0.286
MAR-TRE-4f39ef4a-80
0.280
MAR-TRE-4f39ef4a-55
0.277
MAR-TRE-4f39ef4a-79
0.277
MAR-TRE-4f39ef4a-20
0.275
MAR-TRE-d3c2bf0e-39
0.274
MAR-TRE-4f39ef4a-12
0.273
MAR-TRE-4f39ef4a-84
0.273
MAR-TRE-4f39ef4a-39
0.271
ANT-DIA-b7f58f21-2
0.268
MAR-TRE-4f39ef4a-75
0.267
MAR-TRE-d3c2bf0e-80
0.261
MAR-TRE-4f39ef4a-71
0.260
MAR-TRE-aca67d11-76
0.259
MAR-TRE-d3c2bf0e-59
0.257
MAR-TRE-d3c2bf0e-3
0.257
MAR-TRE-d3c2bf0e-54
0.256
MAR-TRE-e86a56b5-21
0.256
ALP-POS-95b75b4d-2
0.256
MAR-TRE-d3c2bf0e-37
0.254
MAR-TRE-d3c2bf0e-71
0.254
MAR-TRE-d3c2bf0e-33
0.254
MAR-TRE-d3c2bf0e-60
0.254
MAR-TRE-d3c2bf0e-8
0.254
HUN-WAB-3eeb4ea3-1
0.253
MAR-TRE-e86a56b5-39
0.253
HUN-WAB-5047113b-1
0.253
MAR-TRE-4f39ef4a-16
0.253
MAR-TRE-4f39ef4a-82
0.250
MAR-TRE-36bf7dba-74
0.250
MAR-TRE-e86a56b5-11
0.250
MAR-TRE-4f39ef4a-45
0.247
MAR-TRE-4f39ef4a-65
0.247
MAR-TRE-4f39ef4a-28
0.244
MAR-TRE-4f39ef4a-1
0.244
MAR-TRE-4f39ef4a-70
0.244
MAR-TRE-d3c2bf0e-5
0.243