Molecular Properties | |
SMILES: | O=C1CCCN1CCCn1ccn(CCCN2CCCC2=O)c1=[Au+]Cl |
MW: | 550.14 |
Fraction sp3: | 0.71 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 8 |
TPSA: | 50.48 |
cLogP: | 2.08 |
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-d3c2bf0e-64
0.446
MAR-TRE-d3c2bf0e-76
0.429
MAR-TRE-d3c2bf0e-82
0.420
MAR-TRE-d3c2bf0e-36
0.415
MAR-TRE-d3c2bf0e-34
0.404
MAR-TRE-d3c2bf0e-47
0.351
MAR-TRE-d3c2bf0e-21
0.345
MAR-TRE-d3c2bf0e-52
0.333
MAR-TRE-d3c2bf0e-1
0.328
MAR-TRE-d3c2bf0e-3
0.323
MAR-TRE-d3c2bf0e-75
0.322
MAR-TRE-6c5ef77a-63
0.317
MAR-TRE-d3c2bf0e-37
0.308
MAR-TRE-d3c2bf0e-62
0.306
MAR-TRE-d3c2bf0e-72
0.288
MAR-TRE-4f39ef4a-45
0.284
MAR-TRE-d3c2bf0e-59
0.283
MAR-TRE-d3c2bf0e-63
0.283
MAR-TRE-4f39ef4a-88
0.279
MAR-TRE-d3c2bf0e-54
0.279
MAR-TRE-4f39ef4a-74
0.278
MAR-TRE-4f39ef4a-82
0.270
MAR-TRE-d3c2bf0e-42
0.270
LON-WEI-5e7d1b3e-15
0.267
MAT-POS-b5746674-100
0.267
LON-WEI-4d77710c-15
0.267
MAR-TRE-d3c2bf0e-73
0.262
MAR-TRE-d3c2bf0e-23
0.262
MAR-TRE-4f39ef4a-12
0.261
MAR-TRE-d3c2bf0e-32
0.260
MAR-TRE-d3c2bf0e-65
0.259
MAR-TRE-4f39ef4a-23
0.257
MAR-TRE-4f39ef4a-72
0.257
MAR-TRE-4f39ef4a-43
0.250
MAR-TRE-d3c2bf0e-19
0.244
MAR-TRE-d3c2bf0e-24
0.242
MAR-TRE-d3c2bf0e-81
0.241
MAR-TRE-d3c2bf0e-18
0.241
BEN-DND-22e6b372-4
0.240
MAR-TRE-67513f76-72
0.235
MAR-TRE-3e4e6814-26
0.235
MAR-TRE-d3c2bf0e-13
0.234
MAR-TRE-d3c2bf0e-10
0.232
MAR-TRE-d3c2bf0e-79
0.231
BRU-UNI-248b30bc-22
0.229
KUS-THE-322b9b63-24
0.229
MAR-TRE-4f39ef4a-70
0.229
MAR-TRE-d3c2bf0e-66
0.229
LON-WEI-b2874fec-1
0.227
MAR-TRE-4f39ef4a-58
0.227
MAR-TRE-d3c2bf0e-41
0.226
MAR-TRE-66ac689e-21
0.225
MAR-TRE-4f39ef4a-53
0.224
MAR-TRE-d3c2bf0e-29
0.224
BEN-VAN-5787f7d3-3
0.224
MAR-TRE-d3c2bf0e-70
0.222
MAR-TRE-4f39ef4a-13
0.221
MAR-TRE-d3c2bf0e-69
0.221
MAR-TRE-4f39ef4a-76
0.219
MAR-TRE-d3c2bf0e-57
0.219
MAR-TRE-d3c2bf0e-31
0.219
MAR-TRE-4f39ef4a-55
0.218
MAR-TRE-4f39ef4a-87
0.217
MAR-TRE-d3c2bf0e-7
0.217
MAR-TRE-4f39ef4a-25
0.217
MAR-TRE-8190bb11-90
0.217
MAK-UNK-7a704a63-10
0.216
AAR-POS-0daf6b7e-11
0.216
LON-WEI-8f408cad-1
0.216
MAR-TRE-d3c2bf0e-55
0.215
MAR-TRE-4f39ef4a-78
0.214
MAR-TRE-4f39ef4a-80
0.214
MAR-TRE-4f39ef4a-66
0.214
MAR-TRE-4f39ef4a-6
0.213
MAR-TRE-4f39ef4a-20
0.213
MAR-TRE-d3c2bf0e-2
0.211
MAR-TRE-d3c2bf0e-27
0.211
MAR-TRE-4f39ef4a-27
0.211
MAR-TRE-4f39ef4a-41
0.211
MAR-TRE-d3c2bf0e-48
0.211
MAR-TRE-d3c2bf0e-38
0.211
MAR-TRE-4f39ef4a-46
0.210
MAR-TRE-4f39ef4a-16
0.210
MAR-TRE-d3c2bf0e-15
0.210
MAR-TRE-d3c2bf0e-16
0.208
MAR-TRE-4f39ef4a-33
0.208
MAR-TRE-4f39ef4a-10
0.208
MAR-TRE-d3c2bf0e-78
0.208
MAR-TRE-66ac689e-29
0.207
MAR-TRE-d3c2bf0e-30
0.206
MAR-TRE-4f39ef4a-69
0.205
MAR-TRE-4f39ef4a-52
0.205
MAR-TRE-d3c2bf0e-67
0.203
MAR-TRE-d3c2bf0e-9
0.203
MAR-TRE-d3c2bf0e-58
0.203
MAR-TRE-d3c2bf0e-45
0.203
MAR-TRE-d3c2bf0e-4
0.203
MAR-TRE-d3c2bf0e-20
0.203
MAR-TRE-4f39ef4a-32
0.203
MAR-TRE-4f39ef4a-40
0.203