Molecular Properties | |
SMILES: | COC(=O)C(CCCCn1ccn(C)c1=[Au+]Cl)NC(C)=O |
MW: | 499.09 |
Fraction sp3: | 0.62 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 65.26 |
cLogP: | 1.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
contains_metal
halogen_heteroatom
Aliphatic long chain
Halogen-bonded heteroatoms
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
unacceptable atoms
Ester
Long aliphatic chain
Undesirable_Elements_Salts
MAR-TRE-4f39ef4a-74
0.733
MAR-TRE-4f39ef4a-45
0.726
MAR-TRE-4f39ef4a-88
0.571
MAR-TRE-4f39ef4a-6
0.411
MAR-TRE-4f39ef4a-69
0.389
MAR-TRE-4f39ef4a-25
0.378
MAR-TRE-4f39ef4a-23
0.370
MAR-TRE-4f39ef4a-15
0.369
MAR-TRE-4f39ef4a-52
0.359
MAR-TRE-4f39ef4a-12
0.356
MAR-TRE-d3c2bf0e-52
0.354
MAR-TRE-d3c2bf0e-82
0.339
MAR-TRE-4f39ef4a-87
0.333
MAR-TRE-d3c2bf0e-76
0.323
MAR-TRE-4f39ef4a-83
0.321
MAR-TRE-4f39ef4a-67
0.321
MAR-TRE-4f39ef4a-68
0.321
MAR-TRE-4f39ef4a-78
0.311
MAR-TRE-d3c2bf0e-71
0.308
MAR-TRE-d3c2bf0e-65
0.308
MAR-TRE-4f39ef4a-61
0.303
MAR-TRE-4f39ef4a-86
0.303
MAR-TRE-4f39ef4a-90
0.300
MAR-TRE-4f39ef4a-39
0.298
MAR-TRE-4f39ef4a-16
0.294
MAR-TRE-d3c2bf0e-50
0.294
MAR-TRE-4f39ef4a-89
0.293
MAR-TRE-e86a56b5-83
0.292
MAR-TRE-4f39ef4a-44
0.291
MAR-TRE-4f39ef4a-70
0.289
MAR-TRE-4f39ef4a-20
0.287
MAR-TRE-4f39ef4a-9
0.286
MAR-TRE-4f39ef4a-28
0.284
MAR-TRE-4f39ef4a-58
0.284
MAR-TRE-4f39ef4a-62
0.282
MAR-TRE-d3c2bf0e-15
0.279
MAR-TRE-d3c2bf0e-36
0.279
MAR-TRE-4f39ef4a-32
0.278
MAR-TRE-4f39ef4a-35
0.278
MAR-TRE-4f39ef4a-40
0.278
MAR-TRE-4f39ef4a-59
0.276
MAR-TRE-4f39ef4a-80
0.276
MAR-TRE-d3c2bf0e-80
0.275
MAR-TRE-4f39ef4a-54
0.275
MAR-TRE-4f39ef4a-29
0.274
MAR-TRE-4f39ef4a-55
0.274
MAR-TRE-d3c2bf0e-73
0.271
MAR-TRE-d3c2bf0e-17
0.270
MAR-TRE-4f39ef4a-21
0.268
MAR-TRE-d3c2bf0e-60
0.268
MAR-TRE-4f39ef4a-33
0.265
MAR-TRE-d3c2bf0e-26
0.265
MAR-TRE-4f39ef4a-34
0.263
MAR-TRE-4f39ef4a-13
0.262
MAR-TRE-d3c2bf0e-34
0.260
MAR-TRE-e86a56b5-64
0.260
MAR-TRE-4f39ef4a-66
0.260
MAR-TRE-4f39ef4a-48
0.259
MAR-TRE-4f39ef4a-24
0.259
MAR-TRE-d3c2bf0e-58
0.258
MAR-TRE-e86a56b5-34
0.256
MAR-TRE-4f39ef4a-84
0.256
MAR-TRE-d3c2bf0e-74
0.254
MAR-TRE-d3c2bf0e-29
0.253
MAR-TRE-d3c2bf0e-54
0.253
MAR-TRE-4f39ef4a-11
0.253
MAR-TRE-87acfbcc-23
0.253
MAR-TRE-4f39ef4a-10
0.250
MAR-TRE-d3c2bf0e-12
0.250
MAR-TRE-d3c2bf0e-22
0.250
MAR-TRE-d3c2bf0e-14
0.250
MAR-TRE-d3c2bf0e-37
0.250
MAR-TRE-4f39ef4a-63
0.247
MAR-TRE-4f39ef4a-30
0.247
MAR-TRE-4f39ef4a-75
0.247
MAR-TRE-d3c2bf0e-43
0.246
MAR-TRE-d3c2bf0e-78
0.246
MAR-TRE-4f39ef4a-56
0.244
MAR-TRE-4f39ef4a-43
0.244
MAR-TRE-d3c2bf0e-64
0.240
MAR-TRE-d3c2bf0e-28
0.239
MAR-TRE-d3c2bf0e-46
0.239
MAR-TRE-d3c2bf0e-67
0.239
MAR-TRE-d3c2bf0e-32
0.239
MAR-TRE-4f39ef4a-18
0.239
MAR-TRE-4f39ef4a-41
0.238
MAR-TRE-4f39ef4a-27
0.238
MAR-TRE-4f39ef4a-73
0.237
MAR-TRE-4f39ef4a-53
0.237
MAR-TRE-d3c2bf0e-3
0.237
MAR-TRE-d3c2bf0e-47
0.236
MAR-TRE-d3c2bf0e-59
0.236
MAR-TRE-fffca54f-96
0.236
MAR-TRE-e86a56b5-63
0.236
MAR-TRE-d3c2bf0e-44
0.235
MAR-TRE-4f39ef4a-72
0.235
MAR-TRE-e86a56b5-58
0.233
MAR-TRE-d3c2bf0e-21
0.233
MAR-TRE-d3c2bf0e-75
0.233
MAR-TRE-d3c2bf0e-40
0.232