Molecular Properties | |
SMILES: | Cn1ccn(C(Cc2c[nH]c3ccc(F)cc23)C(=O)O)c1=[Au+]Cl |
MW: | 519.04 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 62.95 |
cLogP: | 3.08 |
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-4f39ef4a-51
0.753
MAR-TRE-4f39ef4a-31
0.720
MAR-TRE-4f39ef4a-57
0.720
MAR-TRE-4f39ef4a-50
0.707
MAR-TRE-4f39ef4a-34
0.692
MAR-TRE-4f39ef4a-5
0.658
MAR-TRE-4f39ef4a-11
0.506
MAR-TRE-4f39ef4a-9
0.500
MAR-TRE-4f39ef4a-54
0.481
MAR-TRE-4f39ef4a-13
0.457
MAR-TRE-4f39ef4a-21
0.450
MAR-TRE-4f39ef4a-40
0.449
MAR-TRE-4f39ef4a-44
0.443
MAR-TRE-85681e92-60
0.432
MAR-TRE-4f39ef4a-32
0.430
MAR-TRE-4f39ef4a-10
0.427
MAR-TRE-4f39ef4a-48
0.425
AAR-POS-d2a4d1df-2
0.425
MAR-TRE-4f39ef4a-30
0.422
ABI-SAT-30e287c1-2
0.418
MAR-TRE-4f39ef4a-24
0.417
SAN-PRS-3c4a6997-4
0.407
NAU-LAT-81109c57-1
0.407
DAR-DIA-eace69ff-36
0.400
MAR-TRE-4f39ef4a-78
0.397
MAR-TRE-4f39ef4a-89
0.397
MAK-UNK-be5ffcbc-8
0.393
MAR-TRE-4f39ef4a-61
0.388
MAR-TRE-4f39ef4a-86
0.388
MAR-TRE-4f39ef4a-67
0.386
MAR-TRE-4f39ef4a-68
0.386
MAR-TRE-4f39ef4a-29
0.384
MAR-TRE-4f39ef4a-62
0.383
MAR-TRE-4f39ef4a-35
0.378
MAR-TRE-4f39ef4a-83
0.368
MAK-UNK-be5ffcbc-1
0.366
NAU-LAT-81109c57-4
0.365
NAU-LAT-81109c57-8
0.364
MAK-UNK-be5ffcbc-7
0.354
MAK-UNK-be5ffcbc-3
0.347
MAR-TRE-7f7bb9f0-83
0.343
MAR-TRE-4f39ef4a-52
0.341
MAK-UNK-10572812-2
0.339
FRA-LAB-04e32718-1
0.337
NAU-LAT-81109c57-2
0.333
MAK-UNK-10572812-3
0.333
MAR-TRE-d3c2bf0e-32
0.330
MAK-UNK-37f1d6fa-2
0.327
MAR-TRE-d3c2bf0e-26
0.324
MAR-UCB-195bc32d-4
0.321
MAK-UNK-72b7ba6b-1
0.321
MAK-UNK-176ca439-5
0.321
MAK-UNK-10572812-16
0.319
MAR-TRE-d3c2bf0e-12
0.318
MAR-TRE-d3c2bf0e-46
0.316
MAK-UNK-10dfa458-15
0.315
MAR-TRE-3724962b-29
0.315
MAR-TRE-4f39ef4a-66
0.313
MAR-TRE-d3c2bf0e-22
0.311
MAK-UNK-10572812-15
0.310
MAK-UNK-10572812-14
0.305
MAK-UNK-37f1d6fa-4
0.304
MAK-UNK-10572812-17
0.302
MAR-TRE-4f39ef4a-76
0.299
MAR-TRE-d3c2bf0e-28
0.299
MAR-TRE-4f39ef4a-59
0.298
MAR-TRE-d3c2bf0e-44
0.297
MAR-TRE-4f39ef4a-63
0.297
MAK-UNK-10572812-8
0.297
MAR-TRE-4f39ef4a-15
0.296
MAK-UNK-10572812-9
0.296
MAK-UNK-10572812-6
0.293
MAK-UNK-10572812-7
0.293
MAK-UNK-37f1d6fa-3
0.291
MAR-TRE-4f39ef4a-90
0.289
MAR-TRE-85681e92-38
0.286
MAR-TRE-85681e92-64
0.286
MAK-UNK-37f1d6fa-7
0.286
MAR-TRE-d3c2bf0e-11
0.286
SAN-PRS-3c4a6997-1
0.281
MAK-UNK-37f1d6fa-6
0.281
MAR-TRE-85681e92-20
0.280
MAR-TRE-be9ff7d2-10
0.280
MAR-TRE-d3c2bf0e-45
0.278
MAR-TRE-4f39ef4a-22
0.277
MAR-TRE-4f39ef4a-88
0.276
MAK-UNK-37f1d6fa-1
0.276
MAR-TRE-85681e92-45
0.276
MAR-TRE-4f781e27-26
0.272
JOH-MSK-a63bdd1d-9
0.271
MAR-UCB-195bc32d-19
0.271
MAR-UCB-195bc32d-16
0.270
JOH-MSK-a63bdd1d-4
0.270
MAR-TRE-4f39ef4a-80
0.267
ABI-SAT-30e287c1-1
0.266
MAK-UNK-0d6072ac-1
0.264
MAR-TRE-4f39ef4a-6
0.264
MAR-TRE-4f39ef4a-25
0.263
MAR-TRE-d3c2bf0e-74
0.263
DEN-EUR-293438d2-1
0.262