Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1ccccc1C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr |
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
0.671
MAK-UNK-c44f4be0-4
0.624
MAK-UNK-c44f4be0-10
0.556
MAK-UNK-c44f4be0-9
0.548
MAK-UNK-c44f4be0-8
0.542
MAK-UNK-c44f4be0-11
0.537
AAR-POS-d2a4d1df-16
0.531
MAK-UNK-c44f4be0-7
0.408
MAK-UNK-c44f4be0-2
0.407
MAK-UNK-27459e11-8
0.398
MAK-UNK-c44f4be0-1
0.382
MAK-UNK-a7992eb3-29
0.369
MAK-UNK-c44f4be0-5
0.358
MAK-UNK-a7992eb3-27
0.353
MAK-UNK-a7992eb3-28
0.353
NIC-BIO-7d400292-1
0.351
NIC-BIO-a68395b7-2
0.344
MAK-UNK-a7992eb3-30
0.339
MAK-UNK-a7992eb3-25
0.336
MAK-UNK-a7992eb3-26
0.333
MAR-TRE-e86a56b5-69
0.333
MAK-UNK-c44f4be0-6
0.327
NIC-BIO-a68395b7-3
0.326
NIC-BIO-a68395b7-5
0.326
ANT-DIA-b7f58f21-3
0.325
MAK-UNK-a7992eb3-11
0.325
NIC-BIO-a68395b7-4
0.323
MAK-UNK-a7992eb3-18
0.322
MAR-TRE-fffca54f-96
0.321
MAR-TRE-e86a56b5-63
0.321
NIC-BIO-3276ca7f-2
0.320
NIC-BIO-a68395b7-1
0.317
MAR-TRE-e86a56b5-66
0.312
MAR-TRE-e86a56b5-46
0.305
NIM-UNI-ed9fc491-2
0.305
MAK-UNK-a7992eb3-3
0.305
MAR-TRE-e86a56b5-47
0.303
NIC-BIO-3276ca7f-3
0.303
MAR-TRE-e86a56b5-55
0.302
MAR-TRE-e86a56b5-67
0.301
TRY-UNI-9f475305-10
0.301
CHA-KIN-bfe9b535-3
0.301
NIC-BIO-b40446ce-1
0.300
NIM-UNI-ed9fc491-3
0.300
NIC-BIO-3276ca7f-1
0.299
MAK-UNK-27459e11-7
0.295
MAR-TRE-e86a56b5-45
0.295
MAR-TRE-e86a56b5-62
0.295
NIM-UNI-ed9fc491-1
0.295
MAR-TRE-e86a56b5-31
0.293
CHA-KIN-bfe9b535-1
0.291
MAR-TRE-e86a56b5-73
0.289
MAR-TRE-e86a56b5-58
0.287
TRY-UNI-9f475305-11
0.287
ABH-HOE-1cbf6cd9-2
0.286
CHA-KIN-bfe9b535-7
0.282
CHA-KIN-bfe9b535-4
0.282
MAR-TRE-e86a56b5-56
0.281
CHA-KIN-bfe9b535-8
0.280
SIM-DEM-f31d0e65-1
0.279
MAR-TRE-e86a56b5-97
0.279
CHA-KIN-bfe9b535-2
0.279
CHA-KIN-bfe9b535-9
0.278
VOL-CHA-d666e5ae-2
0.277
CHA-KIN-bfe9b535-5
0.276
CHA-KIN-7308df58-1
0.276
VOL-CHA-d666e5ae-4
0.275
MAR-TRE-4f39ef4a-25
0.274
NIM-UNI-ed9fc491-4
0.274
DUN-NEW-f8ce3686-10
0.272
ELE-IMP-dfb36048-2
0.272
CAL-AMP-9edebd8f-1
0.272
MAR-TRE-e86a56b5-98
0.272
AAR-POS-d2a4d1df-43
0.267
CHA-KIN-45d1307a-2
0.262
AAR-POS-d2a4d1df-1
0.262
MAR-UCB-195bc32d-14
0.262
MAK-UNK-10799360-26
0.260
CHA-KIN-bfe9b535-6
0.260
MAK-UNK-27459e11-9
0.258
JUA-UNI-b93289a4-6
0.258
SAL-INS-68b48d12-2
0.256
ANT-DIA-b7f58f21-2
0.256
MAR-TRE-e86a56b5-11
0.255
MAR-TRE-e86a56b5-50
0.255
ARI-TAT-5792557e-29
0.255
MAR-TRE-e86a56b5-99
0.253
MAR-TRE-85681e92-70
0.253
MAR-TRE-e86a56b5-81
0.253
ARI-TAT-5792557e-28
0.252
ELE-IMP-dfb36048-3
0.252
ELE-IMP-dfb36048-5
0.250
VOL-CHA-d666e5ae-3
0.250
MAR-TRE-e86a56b5-41
0.250
CHA-KIN-45d1307a-1
0.250
SAL-INS-68b48d12-12
0.250
FAR-UNI-a04c1544-1
0.250
CHA-KIN-45d1307a-3
0.250
MAR-TRE-e86a56b5-19
0.248
JUA-UNI-a9dfaed1-6
0.248