Molecular Properties | |
SMILES: | CC(=O)NC(Cc1ccc(Oc2ccccn2)cc1)C(=O)NCC#CBr |
MW: | 416.275 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 80.32 |
cLogP: | 2.3931 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
triple bond
Filter9_metal
Long aliphatic chain
Dipeptide
LON-WEI-8f408cad-3
MAK-UNK-a7992eb3-30
0.593
AAR-POS-d2a4d1df-16
0.575
MAK-UNK-a7992eb3-27
0.554
MAK-UNK-a7992eb3-28
0.554
MAK-UNK-a7992eb3-25
0.491
MAK-UNK-a7992eb3-26
0.485
MAK-UNK-1bb0b7ee-7
0.482
MAK-UNK-a7992eb3-18
0.480
MAK-UNK-a7992eb3-3
0.477
NIC-BIO-7d400292-1
0.470
MAK-UNK-a7992eb3-11
0.460
NIC-BIO-3276ca7f-1
0.444
MAK-UNK-c44f4be0-10
0.424
NIC-BIO-3276ca7f-2
0.411
MAK-UNK-c44f4be0-1
0.402
MAK-UNK-c44f4be0-14
0.400
NIC-BIO-3276ca7f-3
0.400
MAK-UNK-c44f4be0-9
0.392
MAK-UNK-c44f4be0-11
0.384
NIC-BIO-b40446ce-1
0.381
MAK-UNK-c44f4be0-8
0.376
MAK-UNK-c44f4be0-3
0.369
MAK-UNK-c44f4be0-4
0.365
MAK-UNK-1bb0b7ee-3
0.364
AAR-POS-d2a4d1df-43
0.364
MAK-UNK-c44f4be0-2
0.362
MAK-UNK-c44f4be0-7
0.347
MAR-TRE-e86a56b5-64
0.346
NIC-BIO-a68395b7-5
0.345
NIC-BIO-a68395b7-4
0.341
NIC-BIO-a68395b7-1
0.333
NIC-BIO-a68395b7-2
0.333
NIC-BIO-a68395b7-3
0.330
MAR-TRE-e86a56b5-83
0.325
SAL-INS-68b48d12-12
0.310
AAR-POS-d2a4d1df-42
0.308
MAT-POS-59e2c5d7-1
0.308
NIM-UNI-ed9fc491-2
0.306
SAL-INS-68b48d12-4
0.303
SAL-INS-68b48d12-2
0.302
NIC-BIO-3276ca7f-4
0.300
MAK-UNK-c44f4be0-5
0.298
NIM-UNI-ed9fc491-1
0.296
MAR-TRE-e86a56b5-63
0.291
MAR-TRE-fffca54f-96
0.291
MAK-UNK-1bb0b7ee-13
0.291
VOL-CHA-d666e5ae-2
0.290
TRY-UNI-9f475305-10
0.289
NIM-UNI-ed9fc491-3
0.288
TRY-UNI-9f475305-11
0.287
SAL-INS-a5f8a8b9-2
0.287
MAK-UNK-1bb0b7ee-10
0.283
NIC-BIO-7d400292-3
0.280
MAK-UNK-a7992eb3-21
0.279
NIC-BIO-3276ca7f-5
0.279
MAK-UNK-a7992eb3-14
0.275
VOL-CHA-d666e5ae-3
0.274
VOL-CHA-d666e5ae-4
0.274
NIM-UNI-ed9fc491-4
0.273
NIC-BIO-7d400292-4
0.272
MAR-TRE-e86a56b5-58
0.272
NIC-BIO-3276ca7f-6
0.271
JUA-UNI-b93289a4-6
0.270
NIC-BIO-7d400292-2
0.268
MAR-TRE-e86a56b5-46
0.264
MAK-UNK-1bb0b7ee-14
0.263
FAR-UNI-a04c1544-1
0.260
BAR-COM-4e090d3a-19
0.260
NIC-BIO-3276ca7f-7
0.260
AAR-POS-0daf6b7e-33
0.259
NIC-BIO-b40446ce-2
0.259
MAR-TRE-85681e92-91
0.258
JUA-UNI-a9dfaed1-6
0.258
MAR-SOS-82e3a7c7-6
0.257
MAR-SOS-c7881798-6
0.257
JAN-GHE-f375bf5b-1
0.256
BAR-COM-4e090d3a-7
0.255
FAR-UNI-124f5ee8-1
0.255
MAK-UNK-a7992eb3-6
0.252
MAR-TRE-e86a56b5-90
0.250
MAK-UNK-10799360-26
0.248
MAR-TRE-2fd8122f-79
0.247
MAR-TRE-e86a56b5-55
0.247
MAK-UNK-c44f4be0-6
0.245
MAR-TRE-e86a56b5-47
0.244
SAL-INS-68b48d12-6
0.244
BAR-COM-4e090d3a-56
0.243
ARI-TAT-5792557e-29
0.240
MAR-TRE-e86a56b5-54
0.239
SER-UNI-400afb01-4
0.239
JIA-UNI-9972d268-3
0.239
MAR-TRE-e86a56b5-49
0.238
JUL-TUD-06b2044f-155
0.238
ARI-TAT-5792557e-28
0.237
SAL-INS-68b48d12-1
0.236
MAR-TRE-e86a56b5-31
0.236
MAK-UNK-f983951f-22
0.235
MAR-TRE-4f781e27-44
0.235
MAR-TRE-e86a56b5-41
0.235
MAR-TRE-e86a56b5-69
0.233