Molecular Properties | |
SMILES: | NS(=O)(=O)NCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1ccsc1)c1ccccc1 |
MW: | 503.606 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 6 |
Rotatable Bonds: | 10 |
TPSA: | 162.65 |
cLogP: | 1.8371 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
Dipeptide
CHA-KIN-bfe9b535-8
0.689
CHA-KIN-bfe9b535-2
0.653
CHA-KIN-bfe9b535-5
0.646
CHA-KIN-bfe9b535-9
0.636
CHA-KIN-bfe9b535-7
0.633
CHA-KIN-bfe9b535-4
0.633
CHA-KIN-bfe9b535-3
0.626
CHA-KIN-bfe9b535-6
0.626
MAR-TRE-e86a56b5-66
0.414
NIM-UNI-ed9fc491-4
0.376
MAK-UNK-c44f4be0-11
0.361
MAK-UNK-10799360-26
0.357
CHA-KIN-45d1307a-1
0.357
NIM-UNI-ed9fc491-3
0.346
MAK-UNK-c44f4be0-7
0.339
MAK-UNK-c44f4be0-9
0.330
MAK-UNK-c44f4be0-10
0.330
CHA-KIN-45d1307a-3
0.325
TRY-UNI-9f475305-11
0.323
MAR-TRE-e86a56b5-69
0.315
MAR-TRE-e86a56b5-47
0.315
CHA-KIN-7308df58-1
0.315
CHA-KIN-45d1307a-2
0.314
MAR-TRE-e86a56b5-98
0.311
MAR-TRE-e86a56b5-77
0.310
CHA-KIN-7308df58-2
0.308
MAR-TRE-e86a56b5-81
0.304
MAR-TRE-e86a56b5-31
0.304
CHA-KIN-7308df58-3
0.303
MAR-TRE-fffca54f-96
0.302
MAR-TRE-e86a56b5-63
0.302
AAR-POS-d2a4d1df-16
0.302
VOL-CHA-d666e5ae-2
0.300
MAR-TRE-e86a56b5-55
0.299
MAR-TRE-e86a56b5-58
0.299
TRY-UNI-9f475305-10
0.298
VOL-CHA-d666e5ae-4
0.297
NIC-BIO-a68395b7-3
0.296
MAK-UNK-c44f4be0-8
0.296
MAR-UCB-195bc32d-14
0.295
LAU-FAC-e2c8b4ad-1
0.294
NIC-BIO-a68395b7-4
0.294
MAR-TRE-e86a56b5-99
0.292
MAR-TRE-e86a56b5-62
0.292
MAK-UNK-c44f4be0-3
0.291
NIC-BIO-a68395b7-5
0.283
MAR-TRE-e86a56b5-56
0.278
MAR-TRE-e86a56b5-45
0.278
MAK-UNK-c44f4be0-4
0.277
MAK-UNK-c44f4be0-14
0.277
NIC-BIO-a68395b7-1
0.276
NIC-BIO-a68395b7-2
0.275
MAR-TRE-e86a56b5-67
0.271
NIM-UNI-ed9fc491-1
0.269
WIL-LEE-1f71e281-7
0.268
ABH-HOE-1cbf6cd9-2
0.264
MAR-TRE-85681e92-70
0.263
MAR-TRE-e86a56b5-73
0.260
VOL-CHA-d666e5ae-3
0.260
CHA-KIN-87c379ac-1
0.260
MAR-TRE-85681e92-51
0.258
NIM-UNI-ed9fc491-2
0.255
MAR-TRE-e86a56b5-97
0.252
MAR-TRE-e86a56b5-28
0.250
MAR-TRE-e86a56b5-46
0.250
JUS-UNI-57125a42-1
0.250
RAL-THA-4a5dabff-4
0.248
MAR-TRE-4f39ef4a-25
0.248
FAR-UNI-a04c1544-1
0.248
JOK-SYG-a0b0bf84-1
0.248
DAN-MCD-f396e45b-1
0.246
DAN-MCD-9cdc9f7f-1
0.246
VOL-CHA-d666e5ae-1
0.245
MAR-TRE-e86a56b5-19
0.245
MAR-TRE-e86a56b5-6
0.245
DAR-DIA-842b4336-1
0.245
FAR-UNI-124f5ee8-1
0.243
BAR-COM-4e090d3a-7
0.243
DAV-CRI-25b90884-1
0.243
MAR-TRE-e86a56b5-36
0.243
MAR-TRE-e86a56b5-37
0.242
SHA-THE-408e7524-8
0.242
MAR-TRE-e86a56b5-50
0.240
MAR-TRE-e86a56b5-11
0.240
ARI-TAT-5792557e-28
0.238
VOL-CHA-d666e5ae-5
0.238
BAR-COM-4e090d3a-19
0.236
SHA-THE-408e7524-23
0.235
MAR-TRE-9d18ae8c-20
0.235
MAK-UNK-c44f4be0-1
0.234
MAK-UNK-c44f4be0-2
0.234
SAD-SAT-6b5a89f0-10
0.233
BAR-COM-4e090d3a-56
0.232
BAR-COM-4e090d3a-67
0.232
HAO-BIO-c9aafde3-4
0.230
SAL-INS-68b48d12-3
0.230
JUA-UNI-b93289a4-6
0.230
BAR-COM-4e090d3a-38
0.229
MAR-TRE-4f39ef4a-52
0.229
MAK-UNK-a7992eb3-11
0.228