Molecular Properties | |
SMILES: | Cn1ccn(CC(=O)NC(Cc2ccc(O)cc2)C(=O)O)c1=[Au+]Cl |
MW: | 535.06 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 96.49 |
cLogP: | 1.11 |
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-6
0.618
MAR-TRE-e86a56b5-62
0.500
MAR-TRE-4f39ef4a-40
0.500
MAR-TRE-e86a56b5-45
0.500
MAR-TRE-e86a56b5-63
0.455
MAR-TRE-fffca54f-96
0.455
MAR-TRE-4f39ef4a-74
0.442
MAR-TRE-4f39ef4a-88
0.432
MAR-TRE-4f39ef4a-52
0.430
MAR-TRE-4f39ef4a-23
0.427
MAR-TRE-e86a56b5-47
0.423
MAR-TRE-e86a56b5-31
0.405
MAR-TRE-4f39ef4a-15
0.402
MAR-TRE-e86a56b5-46
0.380
MAR-TRE-4f39ef4a-82
0.378
MAR-TRE-e86a56b5-67
0.377
MAR-TRE-4f39ef4a-45
0.373
MAR-TRE-e86a56b5-66
0.372
MAR-TRE-4f39ef4a-66
0.368
MAR-TRE-4f39ef4a-44
0.362
MAR-TRE-4f39ef4a-16
0.360
MAR-TRE-4f39ef4a-12
0.359
MAR-TRE-4f39ef4a-55
0.357
MAR-TRE-e86a56b5-56
0.356
MAR-TRE-4f39ef4a-41
0.354
MAR-TRE-e86a56b5-19
0.354
MAR-TRE-4f39ef4a-10
0.349
MAR-TRE-e86a56b5-58
0.347
MAR-TRE-4f39ef4a-13
0.345
MAR-TRE-e86a56b5-55
0.341
MAR-TRE-4f39ef4a-24
0.341
MAR-TRE-4f39ef4a-69
0.338
MAR-TRE-4f39ef4a-62
0.338
MAR-TRE-4f39ef4a-58
0.337
MAR-TRE-4f39ef4a-21
0.337
NIC-BIO-a68395b7-4
0.333
MAR-TRE-4f39ef4a-32
0.333
MAR-TRE-85681e92-70
0.333
MAR-TRE-4f39ef4a-30
0.329
AAR-POS-d2a4d1df-16
0.329
MAR-TRE-e86a56b5-69
0.329
MAR-TRE-d3c2bf0e-3
0.329
TRY-UNI-9f475305-11
0.322
MAR-TRE-e86a56b5-28
0.313
MAR-TRE-4f39ef4a-70
0.312
NIM-UNI-ed9fc491-2
0.312
MAR-TRE-d3c2bf0e-8
0.311
MAR-TRE-4f39ef4a-20
0.310
MAR-TRE-e86a56b5-6
0.309
MAK-UNK-c44f4be0-4
0.308
MAR-TRE-e86a56b5-98
0.308
MAR-TRE-e86a56b5-39
0.308
MAR-TRE-4f39ef4a-90
0.306
NIC-BIO-a68395b7-3
0.306
MAR-TRE-4f39ef4a-31
0.305
MAK-UNK-c44f4be0-8
0.304
VOL-CHA-d666e5ae-1
0.303
MAR-TRE-e86a56b5-64
0.303
NIM-UNI-ed9fc491-1
0.301
MAR-TRE-4f39ef4a-78
0.300
MAR-TRE-e86a56b5-81
0.300
MAR-TRE-4f39ef4a-63
0.299
MAR-TRE-d3c2bf0e-59
0.297
NIC-BIO-a68395b7-1
0.297
MAR-TRE-e86a56b5-97
0.297
MAK-UNK-c44f4be0-14
0.296
NIC-BIO-a68395b7-2
0.295
MAR-TRE-4f39ef4a-29
0.295
VOL-CHA-d666e5ae-2
0.295
MAR-TRE-e86a56b5-73
0.294
TRY-UNI-9f475305-10
0.293
MAR-TRE-4f39ef4a-86
0.293
MAR-TRE-4f39ef4a-61
0.293
MAR-TRE-85681e92-51
0.293
MAR-TRE-e86a56b5-15
0.293
MAR-TRE-e86a56b5-21
0.293
VOL-CHA-d666e5ae-4
0.292
MAR-TRE-4f39ef4a-27
0.291
NIC-BIO-a68395b7-5
0.291
MAR-TRE-4f39ef4a-11
0.291
MAK-UNK-c44f4be0-9
0.290
SHA-THE-408e7524-23
0.289
MAR-TRE-e86a56b5-49
0.289
MAR-TRE-e86a56b5-37
0.289
MAR-TRE-4f39ef4a-39
0.289
MAK-UNK-c44f4be0-10
0.289
MAR-TRE-4f39ef4a-87
0.287
MAR-TRE-e86a56b5-11
0.287
MAR-TRE-4f39ef4a-33
0.287
MAR-TRE-4f39ef4a-35
0.286
CHA-KIN-bfe9b535-4
0.286
MAR-TRE-4f39ef4a-59
0.284
MAR-TRE-4f39ef4a-89
0.284
MAR-TRE-d3c2bf0e-52
0.284
MAR-TRE-4f39ef4a-54
0.282
MAR-TRE-4f39ef4a-48
0.282
NIM-UNI-ed9fc491-3
0.280
MAR-TRE-d3c2bf0e-37
0.279
MAR-TRE-ebcc4ad6-35
0.279
MAR-TRE-4f39ef4a-68
0.279