Molecular Properties | |
SMILES: | Cl[Au+]=c1n(Cc2cccnc2)ccn1Cc1cccnc1 |
MW: | 482.06 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 35.64 |
cLogP: | 2.94 |
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-59
0.423
MAR-TRE-d3c2bf0e-70
0.423
MAR-TRE-d3c2bf0e-31
0.415
MAR-TRE-d3c2bf0e-57
0.415
MAR-TRE-d3c2bf0e-69
0.404
MAR-TRE-d3c2bf0e-66
0.383
MAR-TRE-d3c2bf0e-27
0.383
MAR-TRE-d3c2bf0e-41
0.377
DRR-IMP-38dce17f-4
0.367
SAD-SAT-b55127ae-4
0.339
MAR-TRE-d3c2bf0e-2
0.339
MAR-TRE-d3c2bf0e-13
0.333
MAR-TRE-d3c2bf0e-16
0.333
DAR-DIA-53551c05-5
0.328
MAR-TRE-d3c2bf0e-68
0.328
DUN-NEW-d8381160-1
0.324
MAR-TRE-d3c2bf0e-62
0.300
MAR-TRE-04c86cea-50
0.297
ANT-DIA-b7f58f21-1
0.293
MAR-TRE-d3c2bf0e-54
0.292
MAR-TRE-85681e92-95
0.288
MAR-TRE-b77b7921-33
0.284
MAR-TRE-d3c2bf0e-34
0.283
MAT-POS-ea426761-26
0.282
MAR-TRE-b77b7921-49
0.282
MIC-UNK-5ce21166-1
0.281
MAR-TRE-87acfbcc-76
0.281
MAR-TRE-d3c2bf0e-72
0.280
MAR-TRE-423310b6-46
0.277
MAR-TRE-d3c2bf0e-63
0.275
MAR-TRE-d3c2bf0e-37
0.275
MAR-TRE-d0525fbf-73
0.273
MAR-TRE-87acfbcc-66
0.273
BEN-DND-61647d40-17
0.271
MAR-TRE-d3c2bf0e-75
0.271
JAG-UCB-1d922829-3
0.271
NAU-LAT-64f4b287-9
0.270
MAR-TRE-4f39ef4a-33
0.268
MAK-UNK-2c1752f0-3
0.267
MAR-TRE-0fda4e82-32
0.266
STE-UNK-dfade101-1
0.266
JAG-UCB-1d922829-1
0.265
MAR-TRE-b77b7921-32
0.265
MAR-TRE-d3c2bf0e-76
0.264
MAR-TRE-a3327163-67
0.264
MAR-TRE-b77b7921-70
0.263
MAR-TRE-423310b6-43
0.261
MAR-TRE-d3c2bf0e-82
0.259
JAG-UCB-1d922829-2
0.259
BEN-DND-61647d40-18
0.257
PET-UNK-55f647aa-3
0.256
MAR-TRE-f6f5f473-11
0.256
MAR-TRE-d3c2bf0e-47
0.254
MAR-TRE-d3c2bf0e-3
0.254
MAR-TRE-d0525fbf-91
0.254
MAR-TRE-04c86cea-26
0.253
MAR-TRE-d0525fbf-16
0.253
MAT-POS-b5746674-127
0.253
MED-COV-4280ac29-3
0.250
MAR-TRE-b77b7921-41
0.250
MAR-TRE-d3c2bf0e-65
0.250
AUS-ARG-7cfdce8f-8
0.250
JUL-TUD-06b2044f-78
0.247
MED-COV-4280ac29-28
0.247
MAK-UNK-009ebe36-8
0.247
SER-UNI-985a0e14-2
0.247
GAB-REV-70cc3ca5-13
0.247
ANT-DIA-3c79be55-2
0.246
MAK-UNK-ca11b4f7-4
0.245
BEN-DND-61647d40-7
0.243
MAR-TRE-d3c2bf0e-10
0.242
MAR-TRE-d3c2bf0e-79
0.242
MAR-TRE-d3c2bf0e-36
0.241
MAK-UNK-ca11b4f7-1
0.241
NIM-UNI-7f77122c-1
0.241
MIC-SGC-657978c3-2
0.240
MAR-TRE-87acfbcc-17
0.240
AUS-ARG-7cfdce8f-6
0.240
MAR-TRE-c8530538-63
0.239
MAR-TRE-4f39ef4a-70
0.239
MAR-TRE-d3c2bf0e-51
0.239
BEN-DND-031a96cc-1
0.238
MAR-TRE-d3c2bf0e-1
0.238
MAR-TRE-d3c2bf0e-64
0.238
MAR-TRE-c8530538-66
0.237
MAR-TRE-d3c2bf0e-52
0.237
MIC-SGC-657978c3-1
0.237
RED-RED-10c9212c-46
0.237
BEN-DND-61647d40-8
0.236
DAR-DIA-23aa0b97-4
0.236
DAR-DIA-23aa0b97-6
0.236
NIM-UNI-0ea3b7bf-5
0.236
MAR-TRE-4f781e27-29
0.236
MAR-TRE-b77b7921-13
0.236
DAR-DIA-23aa0b97-16
0.235
DAR-DIA-43a5904b-6
0.235
MAR-TRE-3e4e6814-45
0.235
DAR-DIA-43a5904b-5
0.235
SAN-PRS-52b81272-2
0.234
MAR-TRE-d3c2bf0e-29
0.234