Molecular Properties | |
SMILES: | COC(=O)C(Cc1ccc(O)cc1)n1ccn(C)c1=[Au+]Cl |
MW: | 492.05 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 56.39 |
cLogP: | 2.26 |
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
Ester
Undesirable_Elements_Salts
MAR-TRE-4f39ef4a-40
0.712
MAR-TRE-4f39ef4a-83
0.551
MAR-TRE-4f39ef4a-44
0.545
MAR-TRE-4f39ef4a-10
0.500
MAR-TRE-4f39ef4a-9
0.500
MAR-TRE-4f39ef4a-24
0.486
MAR-TRE-4f39ef4a-21
0.486
MAR-TRE-4f39ef4a-32
0.485
MAR-TRE-4f39ef4a-30
0.472
MAR-TRE-4f39ef4a-13
0.472
MAR-TRE-4f39ef4a-62
0.449
MAR-TRE-e86a56b5-50
0.443
MAR-TRE-4f39ef4a-61
0.435
MAR-TRE-4f39ef4a-25
0.430
MAR-TRE-4f39ef4a-66
0.426
MAR-TRE-4f39ef4a-35
0.423
MAR-TRE-4f39ef4a-86
0.414
MAR-TRE-4f39ef4a-68
0.411
MAR-TRE-4f39ef4a-67
0.411
MAR-TRE-4f39ef4a-55
0.408
MAR-TRE-4f39ef4a-89
0.406
MAR-TRE-4f39ef4a-78
0.406
MAR-TRE-4f39ef4a-11
0.405
MAR-TRE-4f39ef4a-54
0.397
MAR-TRE-4f39ef4a-48
0.397
MAR-TRE-4f39ef4a-31
0.393
MAR-TRE-e86a56b5-84
0.392
MAR-TRE-4f39ef4a-29
0.390
MAR-TRE-4f39ef4a-41
0.387
MAR-TRE-4f39ef4a-34
0.364
MAR-TRE-4f39ef4a-82
0.359
MAR-TRE-e86a56b5-98
0.357
MAR-TRE-4f39ef4a-5
0.357
MAR-TRE-d3c2bf0e-71
0.349
MAR-TRE-4f39ef4a-51
0.349
MAR-TRE-4f39ef4a-50
0.349
MAR-TRE-4f39ef4a-59
0.347
MAR-TRE-4f39ef4a-57
0.345
MAR-TRE-d3c2bf0e-8
0.343
MAR-TRE-e86a56b5-58
0.343
MAR-TRE-4f39ef4a-26
0.341
MAR-TRE-e86a56b5-39
0.338
MAR-TRE-85681e92-51
0.338
MAR-TRE-e86a56b5-15
0.338
MAR-TRE-e86a56b5-6
0.338
MAR-TRE-e86a56b5-21
0.338
MAR-TRE-4f39ef4a-88
0.338
MAR-TRE-e86a56b5-73
0.338
MAR-TRE-e86a56b5-55
0.338
MAR-TRE-e86a56b5-99
0.333
MAR-TRE-d3c2bf0e-50
0.333
MAR-TRE-e86a56b5-11
0.333
MAR-TRE-e86a56b5-37
0.333
MAR-TRE-4f39ef4a-90
0.333
MAR-TRE-e86a56b5-81
0.329
MAR-TRE-fffca54f-96
0.328
MAR-TRE-e86a56b5-63
0.328
MAR-TRE-4f39ef4a-63
0.325
MAR-TRE-e86a56b5-47
0.324
MAR-TRE-4f39ef4a-23
0.316
MAR-TRE-e86a56b5-56
0.314
MAR-TRE-e86a56b5-45
0.314
MAR-TRE-e86a56b5-62
0.314
MAR-TRE-d3c2bf0e-46
0.313
MAR-TRE-d3c2bf0e-80
0.313
MAR-TRE-e86a56b5-31
0.311
MAR-TRE-d3c2bf0e-74
0.309
MAR-TRE-d3c2bf0e-22
0.308
MAR-TRE-e86a56b5-46
0.308
MAR-TRE-d3c2bf0e-14
0.308
MAR-TRE-e86a56b5-74
0.308
MAR-TRE-e86a56b5-69
0.307
NIC-BIO-a68395b7-1
0.306
VOL-CHA-d666e5ae-2
0.305
MAR-TRE-d3c2bf0e-60
0.304
MAR-TRE-d3c2bf0e-26
0.303
MAR-TRE-4f39ef4a-74
0.300
MAR-TRE-4f39ef4a-69
0.299
MAR-TRE-d3c2bf0e-12
0.299
VOL-CHA-d666e5ae-1
0.298
MAR-TRE-e86a56b5-5
0.296
MAR-TRE-4f39ef4a-76
0.295
MAR-TRE-e86a56b5-79
0.294
MAR-TRE-d3c2bf0e-28
0.294
MAR-TRE-d3c2bf0e-44
0.292
NIM-UNI-ed9fc491-2
0.292
MAR-TRE-d3c2bf0e-5
0.292
AAR-POS-d2a4d1df-16
0.291
VOL-CHA-d666e5ae-5
0.291
MAR-TRE-4f39ef4a-14
0.291
MAR-TRE-4f39ef4a-45
0.289
VOL-CHA-d666e5ae-3
0.286
MAR-TRE-e86a56b5-67
0.286
MAR-TRE-4f39ef4a-22
0.286
MAR-TRE-4f39ef4a-84
0.284
NIC-BIO-a68395b7-3
0.284
MAR-TRE-4f39ef4a-27
0.284
MAR-TRE-e86a56b5-32
0.284
MAR-TRE-d3c2bf0e-43
0.284
NIC-BIO-a68395b7-4
0.282