Molecular Properties | |
SMILES: | CNC(=O)C(CCCCn1ccn(C)c1=[Au+]Cl)NC(C)=O |
MW: | 498.11 |
Fraction sp3: | 0.62 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 68.06 |
cLogP: | 1.02 |
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
Long aliphatic chain
Dipeptide
Undesirable_Elements_Salts
MAR-TRE-4f39ef4a-82
0.726
MAR-TRE-4f39ef4a-74
0.721
MAR-TRE-4f39ef4a-88
0.538
MAR-TRE-4f39ef4a-6
0.405
MAR-TRE-4f39ef4a-69
0.384
MAR-TRE-4f39ef4a-25
0.373
MAR-TRE-4f39ef4a-23
0.365
MAR-TRE-4f39ef4a-15
0.365
MAR-TRE-4f39ef4a-12
0.351
MAR-TRE-d3c2bf0e-52
0.348
MAR-TRE-4f39ef4a-87
0.329
MAR-TRE-4f39ef4a-78
0.324
MAR-TRE-d3c2bf0e-76
0.317
MAR-TRE-4f39ef4a-67
0.316
MAR-TRE-4f39ef4a-68
0.316
MAR-TRE-4f39ef4a-61
0.316
MAR-TRE-d3c2bf0e-82
0.312
MAR-TRE-4f39ef4a-90
0.312
MAR-TRE-4f39ef4a-16
0.291
MAR-TRE-4f39ef4a-59
0.289
MAR-TRE-4f39ef4a-89
0.289
MAR-TRE-4f39ef4a-52
0.289
MAR-TRE-4f39ef4a-44
0.287
MAR-TRE-4f39ef4a-70
0.286
MAR-TRE-4f39ef4a-20
0.284
MAR-TRE-d3c2bf0e-17
0.284
MAR-TRE-4f39ef4a-86
0.282
MAR-TRE-4f39ef4a-28
0.281
MAR-TRE-4f39ef4a-58
0.280
MAR-TRE-4f39ef4a-62
0.278
MAR-TRE-d3c2bf0e-36
0.275
MAR-TRE-4f39ef4a-40
0.275
MAR-TRE-4f39ef4a-32
0.275
MAR-TRE-4f39ef4a-29
0.271
MAR-TRE-4f39ef4a-21
0.265
MAR-TRE-d3c2bf0e-65
0.265
MAR-TRE-4f39ef4a-39
0.264
MAR-TRE-4f39ef4a-33
0.262
MAR-TRE-d3c2bf0e-26
0.261
MAR-TRE-4f39ef4a-35
0.259
MAR-TRE-4f39ef4a-13
0.259
MAR-TRE-d3c2bf0e-15
0.257
MAR-TRE-4f39ef4a-66
0.256
MAR-TRE-4f39ef4a-80
0.256
MAR-TRE-4f39ef4a-48
0.256
MAR-TRE-4f39ef4a-54
0.256
MAR-TRE-4f39ef4a-83
0.256
MAR-TRE-d3c2bf0e-58
0.254
MAR-TRE-4f39ef4a-11
0.250
MAR-TRE-d3c2bf0e-44
0.250
MAR-TRE-4f39ef4a-10
0.247
MAR-TRE-d3c2bf0e-22
0.246
MAR-TRE-d3c2bf0e-37
0.246
MAR-TRE-4f39ef4a-30
0.244
MAR-TRE-4f39ef4a-75
0.244
MAR-TRE-d3c2bf0e-43
0.243
MAR-TRE-4f39ef4a-24
0.241
MAR-TRE-4f39ef4a-55
0.241
MAR-TRE-4f39ef4a-56
0.241
MAR-TRE-d3c2bf0e-34
0.240
MAR-TRE-d3c2bf0e-64
0.237
MAR-TRE-d3c2bf0e-28
0.236
MAR-TRE-d3c2bf0e-80
0.236
MAR-TRE-d3c2bf0e-46
0.236
MAR-TRE-4f39ef4a-18
0.236
MAR-TRE-4f39ef4a-27
0.235
NIM-UNI-ed9fc491-2
0.234
MAR-TRE-4f39ef4a-53
0.234
MAR-TRE-d3c2bf0e-3
0.234
MAR-TRE-d3c2bf0e-29
0.234
MAR-TRE-e86a56b5-63
0.233
MAR-TRE-fffca54f-96
0.233
MAR-TRE-d3c2bf0e-47
0.233
MAR-TRE-d3c2bf0e-74
0.233
MAR-TRE-d3c2bf0e-59
0.233
MAR-TRE-d3c2bf0e-73
0.233
MAR-TRE-4f39ef4a-72
0.232
MAR-TRE-d3c2bf0e-12
0.232
MAR-TRE-4f39ef4a-63
0.230
MAR-TRE-d3c2bf0e-21
0.230
MAR-TRE-d3c2bf0e-60
0.230
MAR-TRE-d3c2bf0e-75
0.230
MAR-TRE-4f39ef4a-9
0.229
MAR-TRE-d3c2bf0e-40
0.229
MAR-TRE-d3c2bf0e-71
0.229
MAR-TRE-d3c2bf0e-14
0.229
MAR-TRE-d3c2bf0e-11
0.228
MAR-TRE-d3c2bf0e-63
0.227
MAR-TRE-e86a56b5-49
0.227
MAR-TRE-4f39ef4a-84
0.226
MAR-TRE-4f39ef4a-43
0.225
MAR-TRE-e86a56b5-64
0.224
MAR-TRE-d3c2bf0e-79
0.224
MAR-TRE-4f39ef4a-5
0.223
MAR-TRE-d3c2bf0e-78
0.222
MAR-TRE-4f39ef4a-71
0.222
MAR-TRE-4f39ef4a-34
0.222
MAR-TRE-87acfbcc-23
0.222
MAR-TRE-4f39ef4a-41
0.221
MAR-TRE-d3c2bf0e-1
0.221