Molecular Properties | |
SMILES: | CC(=O)NC(Cc1ccc(O[C@H](C)[C@H](NC(C)=O)C(=O)NCC#CBr)cc1)C(=O)NCC#CBr |
MW: | 598.292 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 11 |
TPSA: | 125.63 |
cLogP: | 0.9498 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
triple bond
Filter9_metal
Long aliphatic chain
Dipeptide
LON-WEI-8f408cad-3
AAR-POS-d2a4d1df-16
0.600
MAK-UNK-a7992eb3-28
0.595
MAK-UNK-a7992eb3-29
0.554
MAK-UNK-a7992eb3-11
0.505
MAK-UNK-1bb0b7ee-7
0.500
NIC-BIO-7d400292-1
0.487
MAK-UNK-a7992eb3-26
0.485
MAK-UNK-a7992eb3-30
0.479
MAK-UNK-a7992eb3-18
0.451
MAK-UNK-a7992eb3-25
0.449
MAK-UNK-1bb0b7ee-10
0.438
MAK-UNK-a7992eb3-3
0.422
AAR-POS-d2a4d1df-42
0.414
MAT-POS-59e2c5d7-1
0.414
NIC-BIO-3276ca7f-2
0.409
MAK-UNK-c44f4be0-10
0.407
MAK-UNK-a7992eb3-14
0.402
MAK-UNK-c44f4be0-14
0.398
AAR-POS-d2a4d1df-43
0.397
NIC-BIO-3276ca7f-1
0.396
MAK-UNK-1bb0b7ee-13
0.390
MAK-UNK-1bb0b7ee-3
0.389
MAK-UNK-c44f4be0-1
0.386
NIC-BIO-3276ca7f-3
0.383
NIC-BIO-b40446ce-1
0.379
MAK-UNK-1bb0b7ee-14
0.377
MAK-UNK-a7992eb3-6
0.377
MAK-UNK-a7992eb3-21
0.376
MAK-UNK-c44f4be0-9
0.375
NIC-BIO-a68395b7-5
0.373
MAK-UNK-c44f4be0-11
0.367
MAK-UNK-c44f4be0-4
0.363
MAR-TRE-e86a56b5-64
0.360
MAK-UNK-c44f4be0-8
0.360
MAK-UNK-c44f4be0-3
0.353
NIC-BIO-a68395b7-4
0.352
MAK-UNK-c44f4be0-2
0.346
NIC-BIO-a68395b7-2
0.345
NIC-BIO-a68395b7-1
0.344
NIC-BIO-a68395b7-3
0.341
MAR-TRE-e86a56b5-83
0.338
MAK-UNK-c44f4be0-5
0.320
NIM-UNI-ed9fc491-1
0.319
MAK-UNK-c44f4be0-7
0.317
NIM-UNI-ed9fc491-2
0.316
MAR-TRE-fffca54f-96
0.303
MAR-TRE-e86a56b5-63
0.303
VOL-CHA-d666e5ae-2
0.300
VOL-CHA-d666e5ae-4
0.297
SAL-INS-68b48d12-12
0.293
NIC-BIO-7d400292-3
0.289
SAL-INS-68b48d12-4
0.286
SAL-INS-68b48d12-2
0.286
TRY-UNI-9f475305-10
0.284
SAL-INS-a5f8a8b9-2
0.283
TRY-UNI-9f475305-11
0.283
MAR-TRE-e86a56b5-58
0.282
NIC-BIO-7d400292-4
0.280
NIC-BIO-7d400292-2
0.277
MAR-TRE-85681e92-91
0.267
LAU-FAC-e2c8b4ad-1
0.266
MAR-TRE-e86a56b5-54
0.261
NIM-UNI-ed9fc491-3
0.260
MAR-TRE-e86a56b5-90
0.259
MAR-TRE-e86a56b5-46
0.258
NIM-UNI-ed9fc491-4
0.257
VOL-CHA-d666e5ae-3
0.255
NIC-BIO-3276ca7f-7
0.255
MAR-TRE-e86a56b5-47
0.253
MAT-CRI-83f800fc-2
0.252
JUA-UNI-b93289a4-6
0.250
MAT-CRI-83f800fc-1
0.248
MAR-TRE-e86a56b5-49
0.247
NIC-BIO-3276ca7f-4
0.245
ARI-TAT-5792557e-28
0.245
MAR-TRE-e86a56b5-9
0.244
MAR-TRE-e86a56b5-31
0.244
MAK-UNK-10799360-26
0.243
NIC-BIO-3276ca7f-6
0.243
NIC-BIO-b40446ce-2
0.243
FAR-UNI-a04c1544-1
0.242
SAL-INS-68b48d12-6
0.240
JUA-UNI-a9dfaed1-6
0.239
NIC-BIO-3276ca7f-5
0.238
FAR-UNI-124f5ee8-1
0.238
MAR-TRE-e86a56b5-98
0.235
JUS-UNI-57125a42-1
0.233
MAR-TRE-85681e92-70
0.230
MAR-TRE-e86a56b5-81
0.230
MAR-TRE-e86a56b5-62
0.229
MAR-TRE-2fd8122f-79
0.228
MAR-TRE-e86a56b5-55
0.228
MAR-TRE-85681e92-74
0.227
SAL-INS-68b48d12-10
0.224
SAL-INS-68b48d12-8
0.221
MAR-TRE-c317dd82-21
0.218
MAK-UNK-c44f4be0-6
0.218
MAR-TRE-4f39ef4a-25
0.218
BAR-COM-4e090d3a-19
0.218
VOL-CHA-d666e5ae-5
0.217