Molecular Properties | |
SMILES: | Cl[Au+]=c1n(CCN2CCOCC2)ccn1CCN1CCOCC1 |
MW: | 526.14 |
Fraction sp3: | 0.8 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 34.8 |
cLogP: | 0.72 |
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
0.689
MAR-TRE-d3c2bf0e-21
0.587
MAR-TRE-d3c2bf0e-76
0.413
MAR-TRE-d3c2bf0e-82
0.404
MAR-TRE-d3c2bf0e-52
0.392
MAR-TRE-d3c2bf0e-36
0.373
MAR-TRE-d3c2bf0e-75
0.352
MAR-TRE-d3c2bf0e-3
0.351
MAR-TRE-d3c2bf0e-17
0.351
MAR-TRE-d3c2bf0e-1
0.333
MAR-LAB-ca4662a6-5
0.328
MAR-TRE-d3c2bf0e-54
0.323
MAR-TRE-d3c2bf0e-72
0.319
AAR-POS-0daf6b7e-28
0.316
MAR-TRE-d3c2bf0e-34
0.316
MAR-TRE-d3c2bf0e-37
0.312
MAR-TRE-d3c2bf0e-62
0.310
MAR-TRE-d3c2bf0e-59
0.309
MAR-TRE-d3c2bf0e-65
0.308
MAR-TRE-f5c2d31c-68
0.303
JOH-IMS-1436231f-6
0.298
AAR-POS-0daf6b7e-29
0.298
MAK-UNK-748f8b7a-11
0.288
MAR-TRE-d3c2bf0e-27
0.286
MAR-TRE-d3c2bf0e-63
0.286
MAR-TRE-fd17a9b8-68
0.282
MAR-TRE-4f39ef4a-88
0.281
MAR-TRE-d3c2bf0e-31
0.281
MAR-TRE-4f39ef4a-23
0.277
MAR-TRE-c317dd82-69
0.276
MAR-TRE-d3c2bf0e-13
0.276
MAR-TRE-a3327163-41
0.275
MAR-TRE-fd17a9b8-7
0.273
MED-COV-4280ac29-22
0.272
MAR-TRE-d3c2bf0e-42
0.271
MAR-TRE-d3c2bf0e-10
0.270
MAR-TRE-d3c2bf0e-41
0.268
MAR-TRE-d3c2bf0e-51
0.266
MAT-POS-2492181e-11
0.265
LON-WEI-5e7d1b3e-16
0.265
MAT-POS-b5746674-109
0.265
LON-WEI-4d77710c-16
0.265
MAR-TRE-a3327163-23
0.265
MAR-TRE-d3c2bf0e-23
0.263
MAR-TRE-d3c2bf0e-70
0.263
MAR-TRE-d3c2bf0e-73
0.263
MAR-TRE-d3c2bf0e-24
0.262
JOR-UNI-2fc98d0b-6
0.262
MAR-TRE-4f39ef4a-12
0.262
MAR-TRE-d3c2bf0e-32
0.260
MAR-TRE-d3c2bf0e-19
0.260
JUA-UNI-bc099708-3
0.259
MAK-UNK-9955b1f3-3
0.259
MAR-TRE-d3c2bf0e-69
0.258
MAR-TRE-c317dd82-23
0.256
MAR-TRE-d3c2bf0e-55
0.254
MAR-TRE-d3c2bf0e-7
0.254
MAR-LAB-ff9967db-17
0.253
MAR-TRE-d3c2bf0e-79
0.250
MAR-TRE-a9136c7b-11
0.250
BEN-DND-93268d01-10
0.250
MAR-TRE-9c797165-3
0.250
SIM-DEM-2843056b-1
0.247
MAR-TRE-a3327163-98
0.247
BAR-COM-4e090d3a-45
0.247
MAR-TRE-4f39ef4a-25
0.247
MAR-TRE-a3327163-4
0.247
MAR-TRE-4f39ef4a-6
0.246
MAR-TRE-4f39ef4a-70
0.246
MAR-TRE-d3c2bf0e-66
0.246
MAR-TRE-d3c2bf0e-58
0.245
MAR-TRE-d3c2bf0e-67
0.245
BAR-COM-4e090d3a-54
0.244
ORN-MSD-f9d8c68a-1
0.244
MAR-TRE-fd17a9b8-36
0.244
MAR-TRE-4f39ef4a-74
0.243
MAR-TRE-4f39ef4a-58
0.243
MAR-TRE-d3c2bf0e-29
0.242
SEA-TRI-67e8f1c7-1
0.242
MAK-UNK-9955b1f3-2
0.241
MAR-TRE-d3c2bf0e-45
0.241
MAR-TRE-d3c2bf0e-44
0.241
MAR-TRE-d3c2bf0e-81
0.241
TAM-UNI-d1c3dd9f-12
0.241
MAK-UNK-f983951f-21
0.240
MAR-TRE-0fda4e82-37
0.239
MAR-TRE-3e4e6814-16
0.238
MAR-TRE-d3c2bf0e-57
0.237
MAR-TRE-d3c2bf0e-22
0.236
MAR-TRE-4f39ef4a-82
0.236
MAR-TRE-6a44bbf2-100
0.236
AHN-SAT-de2502ba-4
0.236
JOR-UNI-61e7b1d5-16
0.236
MAR-TRE-4f39ef4a-35
0.235
MAR-TRE-fd17a9b8-20
0.235
MAR-TRE-67513f76-19
0.235
SAD-SAT-7d5528d9-1
0.235
MAR-TRE-4f39ef4a-45
0.233
MAK-UNK-9955b1f3-16
0.233
MAR-TRE-6a44bbf2-83
0.233