Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1cccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)NCC#CBr)c1 |
MW: | 522.421 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 10 |
TPSA: | 124.6 |
cLogP: | 1.297 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
Filter9_metal
Long aliphatic chain
Hetero_hetero
Dipeptide
MAK-UNK-c44f4be0-14
0.723
MAK-UNK-c44f4be0-3
0.624
MAK-UNK-c44f4be0-9
0.559
MAK-UNK-c44f4be0-8
0.552
MAK-UNK-c44f4be0-10
0.549
AAR-POS-d2a4d1df-16
0.524
MAK-UNK-c44f4be0-11
0.515
MAK-UNK-c44f4be0-7
0.417
MAK-UNK-27459e11-15
0.417
MAK-UNK-c44f4be0-1
0.404
MAK-UNK-c44f4be0-2
0.404
MAK-UNK-c44f4be0-5
0.381
MAK-UNK-a7992eb3-28
0.376
ANT-DIA-b7f58f21-2
0.373
MAK-UNK-a7992eb3-29
0.365
MAK-UNK-a7992eb3-27
0.363
NIC-BIO-a68395b7-4
0.361
NIC-BIO-7d400292-1
0.361
MAK-UNK-c44f4be0-6
0.349
MAR-TRE-e86a56b5-69
0.344
MAK-UNK-a7992eb3-30
0.336
MAK-UNK-a7992eb3-11
0.333
MAK-UNK-a7992eb3-18
0.331
MAK-UNK-a7992eb3-26
0.331
MAR-TRE-e86a56b5-46
0.330
NIM-UNI-ed9fc491-2
0.327
TRY-UNI-9f475305-11
0.323
NIC-BIO-a68395b7-5
0.323
MAK-UNK-a7992eb3-3
0.323
NIM-UNI-ed9fc491-3
0.321
MAK-UNK-27459e11-10
0.319
NIM-UNI-ed9fc491-1
0.317
NIC-BIO-a68395b7-2
0.313
MAK-UNK-a7992eb3-25
0.312
MAR-TRE-e86a56b5-67
0.312
TRY-UNI-9f475305-10
0.311
NIC-BIO-a68395b7-3
0.309
NIC-BIO-b40446ce-1
0.309
ANT-DIA-b7f58f21-7
0.309
MAR-TRE-4f39ef4a-25
0.308
MAR-TRE-e86a56b5-45
0.307
MAR-TRE-e86a56b5-63
0.302
MAR-TRE-fffca54f-96
0.302
NIC-BIO-a68395b7-1
0.301
VOL-CHA-d666e5ae-2
0.300
MAR-TRE-e86a56b5-47
0.300
NIC-BIO-3276ca7f-3
0.300
MAR-TRE-e86a56b5-55
0.299
MAR-TRE-e86a56b5-73
0.299
ABH-HOE-1cbf6cd9-2
0.294
NIM-UNI-ed9fc491-4
0.293
NIC-BIO-3276ca7f-2
0.292
MAR-TRE-e86a56b5-62
0.292
MAR-TRE-e86a56b5-31
0.290
CHA-KIN-bfe9b535-7
0.290
AAR-POS-d2a4d1df-1
0.289
CHA-KIN-bfe9b535-8
0.288
ARI-TAT-5792557e-28
0.287
ARI-TAT-5792557e-29
0.287
CHA-KIN-bfe9b535-2
0.287
CHA-KIN-bfe9b535-5
0.285
NIC-BIO-3276ca7f-1
0.284
VOL-CHA-d666e5ae-4
0.284
MAR-TRE-e86a56b5-58
0.284
MAR-TRE-e86a56b5-66
0.281
CHA-KIN-bfe9b535-4
0.280
MAR-TRE-e86a56b5-56
0.278
CHA-KIN-bfe9b535-3
0.278
CHA-KIN-bfe9b535-1
0.277
ANT-DIA-b7f58f21-3
0.276
CHA-KIN-bfe9b535-9
0.276
ANT-DIA-b7f58f21-6
0.276
CHA-KIN-7308df58-1
0.273
MAK-UNK-27459e11-16
0.273
MAR-TRE-e86a56b5-41
0.272
MAK-UNK-27459e11-9
0.270
MAR-TRE-e86a56b5-98
0.269
MAK-UNK-10799360-26
0.268
SIM-DEM-5935bd74-2
0.268
JUA-UNI-b93289a4-6
0.268
CHA-KIN-bfe9b535-6
0.268
PET-SGC-85e821e4-1
0.265
SAL-INS-68b48d12-2
0.265
MAR-TRE-e86a56b5-97
0.264
AAR-POS-d2a4d1df-43
0.264
SAL-INS-a5f8a8b9-2
0.263
MAR-TRE-e86a56b5-28
0.263
ELE-IMP-dfb36048-3
0.261
CHA-KIN-45d1307a-2
0.260
SAL-INS-68b48d12-12
0.259
AAR-UNI-c25c2f1e-12
0.259
AAR-UNI-c25c2f1e-89
0.258
CHA-KIN-45d1307a-3
0.258
MAR-TRE-e86a56b5-19
0.257
ANT-DIA-b7f58f21-1
0.256
SAL-INS-68b48d12-11
0.254
MAK-UNK-8145c7a0-11
0.254
CHA-KIN-7308df58-2
0.254
SAL-INS-68b48d12-4
0.252
FAR-UNI-9a76d7b5-1
0.250