Molecular Properties | |
SMILES: | O=C(CS(=O)(=O)NCCc1ccccc1)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr |
MW: | 522.421 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 11 |
TPSA: | 124.6 |
cLogP: | 1.0536 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
triple bond
Filter9_metal
Long aliphatic chain
Hetero_hetero
Dipeptide
MAK-UNK-c44f4be0-9
0.711
MAK-UNK-c44f4be0-14
0.591
MAK-UNK-c44f4be0-10
0.568
MAK-UNK-c44f4be0-4
0.552
AAR-POS-d2a4d1df-16
0.544
MAK-UNK-c44f4be0-3
0.542
MAK-UNK-c44f4be0-11
0.532
MAK-UNK-c44f4be0-7
0.521
MAK-UNK-c44f4be0-1
0.515
MAK-UNK-c44f4be0-2
0.515
MAK-UNK-c44f4be0-5
0.495
MAK-UNK-c44f4be0-6
0.440
MAK-UNK-27459e11-3
0.383
MAK-UNK-a7992eb3-29
0.376
NIC-BIO-7d400292-1
0.372
MAR-TRE-e86a56b5-55
0.367
MAK-UNK-a7992eb3-26
0.363
MAK-UNK-a7992eb3-28
0.360
MAK-UNK-a7992eb3-27
0.360
NIC-BIO-a68395b7-4
0.358
MAK-UNK-a7992eb3-18
0.350
MAK-UNK-27459e11-1
0.345
MAK-UNK-a7992eb3-30
0.345
MAK-UNK-a7992eb3-11
0.342
MAR-TRE-e86a56b5-69
0.341
MAR-TRE-e86a56b5-66
0.333
JUA-UNI-b93289a4-6
0.333
MAR-TRE-e86a56b5-45
0.333
NIC-BIO-a68395b7-5
0.333
MAK-UNK-a7992eb3-25
0.331
NIM-UNI-ed9fc491-2
0.324
NIC-BIO-a68395b7-2
0.323
NIC-BIO-a68395b7-3
0.319
NIM-UNI-ed9fc491-3
0.318
MAR-TRE-e86a56b5-62
0.318
MAR-TRE-e86a56b5-56
0.318
AAR-POS-d2a4d1df-1
0.316
MAR-TRE-e86a56b5-31
0.315
NIC-BIO-3276ca7f-2
0.314
MAK-UNK-27459e11-4
0.313
MAR-TRE-e86a56b5-63
0.313
MAR-TRE-fffca54f-96
0.313
MAR-TRE-e86a56b5-46
0.312
ABH-HOE-1cbf6cd9-2
0.311
MAR-TRE-e86a56b5-47
0.310
MAK-UNK-27459e11-2
0.310
NIC-BIO-a68395b7-1
0.310
MAK-UNK-a7992eb3-3
0.310
MAR-TRE-e86a56b5-58
0.310
MAR-TRE-e86a56b5-67
0.308
CHA-KIN-bfe9b535-8
0.307
TRY-UNI-9f475305-10
0.307
SAL-INS-68b48d12-2
0.306
TRY-UNI-9f475305-11
0.306
CHA-KIN-bfe9b535-6
0.306
NIC-BIO-b40446ce-1
0.306
CHA-KIN-bfe9b535-2
0.305
MAR-TRE-4f39ef4a-25
0.304
CHA-KIN-bfe9b535-5
0.303
NIM-UNI-ed9fc491-1
0.301
NIM-UNI-ed9fc491-4
0.301
CHA-KIN-bfe9b535-4
0.298
CHA-KIN-bfe9b535-7
0.298
NIC-BIO-3276ca7f-3
0.296
VOL-CHA-d666e5ae-2
0.296
CHA-KIN-bfe9b535-1
0.296
CHA-KIN-bfe9b535-3
0.295
VOL-CHA-d666e5ae-4
0.293
CHA-KIN-bfe9b535-9
0.293
NIC-BIO-3276ca7f-1
0.292
SAL-INS-a5f8a8b9-2
0.292
JUA-UNI-a9dfaed1-6
0.292
SAL-INS-68b48d12-12
0.290
MAK-UNK-f983951f-22
0.287
MAK-UNK-10799360-26
0.286
MAR-TRE-e86a56b5-97
0.284
ANT-DIA-b7f58f21-4
0.284
SAL-INS-68b48d12-4
0.283
ARI-TAT-5792557e-28
0.283
MAR-TRE-e86a56b5-73
0.281
FAR-UNI-a04c1544-1
0.280
MAK-UNK-07311286-1
0.278
MAK-UNK-07311286-2
0.278
MAK-UNK-194150d3-11
0.278
MAR-TRE-e86a56b5-98
0.278
VOL-CHA-d666e5ae-1
0.277
SAL-INS-68b48d12-1
0.277
MAK-UNK-b2c98f02-6
0.275
MIH-UNI-6b9ca91a-6
0.275
AAR-POS-d2a4d1df-43
0.273
DUN-NEW-f8ce3686-23
0.269
MAK-UNK-8145c7a0-1
0.268
MAR-TRE-e86a56b5-77
0.267
CHA-KIN-45d1307a-2
0.267
MAR-TRE-e86a56b5-19
0.265
CHA-KIN-45d1307a-3
0.265
SUG-SAT-4be79373-2
0.264
MAR-TRE-e86a56b5-36
0.263
MAK-UNK-194150d3-1
0.262
FAR-UNI-124f5ee8-1
0.262